SCHEMBL1387642

SCHEMBL1387642

C1=CC(c2ccccc2)(c2ccc3c(c2)OCO3)Oc2ccc3ccccc3c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
LMNA P02545 4/20 0.40
NPC1 O15118 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 1/20 0.39
SCN9A Q15858 1/20 0.38
RAB9A P51151 4/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EDNRA P25101 5/20 0.36
CYP1A2 P05177 3/20 0.35

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
SCHEMBL9056690 0.86 KDM4E (0.44) ALDH1A1KDM4ELMNANPC1MEN1
SCHEMBL361847 0.86 KDM4E (0.50) ALDH1A1KDM4ELMNANPC1MEN1
SCHEMBL30284405 0.86 KDM4E (0.50) ALDH1A1KDM4ELMNANPC1MEN1
SCHEMBL1387871 0.83 NPC1 (0.38) ALDH1A1KDM4ELMNANPC1MEN1
SCHEMBL2517095 0.82 KDM4E (0.45) ALDH1A1KDM4ELMNANPC1MEN1
SCHEMBL9104399 0.80 KDM4E (0.40) ALDH1A1KDM4ELMNANPC1MEN1
SCHEMBL7821439 0.79 NPC1 (0.37) ALDH1A1KDM4ELMNANPC1MEN1
SCHEMBL5615321 0.78 SMN1; SMN2 (0.43) ALDH1A1KDM4ELMNANPC1MEN1
SCHEMBL5615529 0.78 ALDH1A1 (0.42) ALDH1A1KDM4ELMNANPC1MEN1
SCHEMBL7818422 0.78 ALDH1A1 (0.39) ALDH1A1KDM4ELMNANPC1MEN1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1053445-C Photochromic naphthopyran compounds PPG INDUSTRIES INC (US) 2000-06-14 CN claimed
JP-H08512031-A 1996-12-17 JP claimed
CN-1125985-A Photochromic naphthopyran compounds PPG INDUSTRIES INC (US) 1996-07-03 CN claimed
EP-0704067-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1996-04-03 EP claimed
EP-0704067-A4 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES INC (US) 1996-02-02 EP claimed
US-5384077-A Naphthopyrans TRANSITIONS OPTICAL, INC. (US) 1995-01-24 US claimed
WO-1995000866-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1995-01-05 WO claimed
EP-0704067-B1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG IND OHIO INC (US) 2001-08-01 EP disclosed
CN-1053445-C Photochromic naphthopyran compounds PPG INDUSTRIES INC (US) 2000-06-14 CN disclosed
CN-1125985-A Photochromic naphthopyran compounds PPG INDUSTRIES INC (US) 1996-07-03 CN disclosed
EP-0704067-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1996-04-03 EP disclosed
EP-0704067-A4 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES INC (US) 1996-02-02 EP disclosed
US-5458815-A Photochromic naphthopyran compounds TRANSITIONS OPTICAL, INC. (US) 1995-10-17 US disclosed
US-5384077-A Naphthopyrans TRANSITIONS OPTICAL, INC. (US) 1995-01-24 US disclosed
WO-1995000866-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1995-01-05 WO disclosed