SCHEMBL1044033

SCHEMBL1044033

O=C(c1ccccc1)c1ccc(N2CCN(CCO)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
TSHR P16473 2/20 0.64
HSD17B10 Q99714 2/20 0.64
NPC1 O15118 1/20 0.64
LMNA P02545 1/20 0.64
TP53 P04637 1/20 0.64
MAPT P10636 1/20 0.64
HPGD P15428 1/20 0.64
ALOX15 P16050 1/20 0.64
STAT1 P42224 1/20 0.64
RAB9A P51151 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
USP2 O75604 1/20 0.59
POLB P06746 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57
HTR1A P08908 5/20 0.57
DRD2 P14416 2/20 0.56
HTR2A P28223 1/20 0.56
HTR7 P34969 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL63379 0.86 KDM4E (0.54) USP2HTR1ADRD2HTR2AHTR7
SCHEMBL2023604 0.84 ALDH1A1 (0.82) ALDH1A1TSHRHSD17B10NPC1LMNA
SCHEMBL6385783 0.84 KCNH2 (0.69) HTR1ADRD2HTR2AHTR7DRD4
SCHEMBL3233096 0.81 MEN1 (0.53) ALDH1A1HTR7
SCHEMBL14095308 0.81 NPC1 (0.73) ALDH1A1TSHRHSD17B10NPC1LMNA
SCHEMBL27977382 0.79 HTR1A (0.52) ALDH1A1LMNAMAPTHTR1ADRD2
SCHEMBL14982061 0.79 NPC1 (1.00) ALDH1A1TSHRHSD17B10NPC1LMNA
SCHEMBL63447 0.78 MAPT (0.60) ALDH1A1TSHRNPC1LMNAMAPT
SCHEMBL6174497 0.78 KDM4E (0.65) ALDH1A1HSD17B10MAPTHPGDHTR1A
SCHEMBL2742812 0.77 NPC1 (0.96) ALDH1A1TSHRHSD17B10NPC1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11874434-B2 Ophthalmic devices comprising photochromic materials with reactive substituents JOHNSON & JOHNSON VISION CARE, INC. (US) 2024-01-16 US disclosed
US-20220137262-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS JOHNSON & JOHNSON VISION CARE (US) 2022-05-05 US disclosed
US-11256002-B2 Ophthalmic devices comprising photochromic materials with reactive substituents JOHNSON & JOHNSON VISION CARE, INC. (US) 2022-02-22 US disclosed
EP-3633423-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS Johnson & Johnson Vision Care, Inc. (US) 2020-04-08 EP disclosed
CN-104898187-B Ophthalmic devices comprising photochromic materials having reactive substituents INNOTECH, INC., JOHNSON AND JOHNSON VISION CARE (US) 2019-12-10 CN disclosed
EP-1872159-B1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS JOHNSON AND JOHNSON VISION CARE INC (US) 2019-09-04 EP disclosed
US-20190129067-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS JOHNSON & JOHNSON VISION CARE (US) 2019-05-02 US disclosed
US-10197707-B2 Ophthalmic devices comprising photochromic materials with reactive sub substituents JOHNSON & JOHNSON VISION CARE, INC. (US) 2019-02-05 US disclosed
US-20150241601-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS JOHNSON & JOHNSON VISION CARE (US) 2015-08-27 US disclosed
US-9052438-B2 Ophthalmic devices comprising photochromic materials with reactive substituents JOHNSON & JOHNSON VISION CARE, INC. (US) 2015-06-09 US disclosed
EP-2270559-B1 Ophthalmic devices comprising photochromic materials with reactive substituents JOHNSON & JOHNSON VISION CARE (US) 2013-08-21 EP disclosed
EP-2270559-A2 Ophthalmic devices comprising photochromic materials with reactive substituents Johnson and Johnson Vision Care, Inc. (US) 2011-01-05 EP disclosed
EP-1866699-B1 PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS TRANSITIONS OPTICAL INC (US) 2010-05-05 EP disclosed
US-7556750-B2 Photochromic materials with reactive substituents TRANSITIONS OPTICAL, INC. (US) 2009-07-07 US disclosed
EP-1872159-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS Johnson and Johnson Vision Care, Inc. (US) 2008-01-02 EP disclosed
EP-1866699-A1 PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2007-12-19 EP disclosed
WO-2006110520-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS JOHNSON & JOHNSON VISION CARE, INC. (US) 2006-10-19 WO disclosed
WO-2006110219-A1 PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2006-10-19 WO disclosed
US-20060226401-A1 Ophthalmic devices comprising photochromic materials with reactive substituents JOHNSON & JOHNSON VISION CARE, INC. 2006-10-12 US disclosed
US-20060226400-A1 Photochromic materials with reactive substituents TRANSITIONS OPTICAL LIMITED (IE) 2006-10-12 US disclosed