SCHEMBL1009484

SCHEMBL1009484

COc1cc2c3c(c4c(c2cc1OC)-c1ccc(C(=O)O)cc1C4(C)C)C=CC(c1ccccc1)(c1ccc(N2CCOCC2)cc1)O3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.38
MAPT P10636 6/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
KMO O15229 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTPN1 P18031 1/20 0.33
HCRTR1 O43613 1/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33
STK10 O94804 1/20 0.33
SLK Q9H2G2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1009625 0.95 MRGPRX4 (0.38) HIF1AMAPTKMT2AMEN1ALDH1A1
SCHEMBL25844451 0.90 ALK (0.33) HIF1AMAPTKMT2AMEN1ALDH1A1
SCHEMBL29453309 0.90 STK10 (0.35) HIF1AMAPTKMT2AMEN1ALDH1A1
SCHEMBL3707410 0.90 HIF1A (0.34) HIF1AMAPTKMT2AMEN1ALDH1A1
SCHEMBL1045266 0.90 STK10 (0.35) HIF1AMAPTKMT2AMEN1ALDH1A1
SCHEMBL25605055 0.88 STK10 (0.36) HIF1AMAPTKMT2AMEN1ALDH1A1
SCHEMBL25605286 0.88 RAF1 (0.33) HIF1AMAPTKMT2AMEN1ALDH1A1
SCHEMBL1009900 0.88 SIRT1 (0.34) HTTLMNA
SCHEMBL1010337 0.88 EIF4A1 (0.34) HIF1AALDH1A1LMNAL3MBTL1
SCHEMBL25849618 0.88 ALK (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1872173-B9 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL INC (US) 2011-01-05 EP claimed
EP-1872173-B1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL INC (US) 2010-04-14 EP claimed
JP-2008537762-A 2008-09-25 JP claimed
EP-1869140-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS Johnson and Johnson Vision Care, Inc. (US) 2007-12-26 EP claimed
WO-2006110513-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS JOHNSON & JOHNSON VISION CARE, INC. (US) 2006-10-19 WO claimed
US-20060226402-A1 Ophthalmic devices comprising photochromic materials having extended PI-conjugated systems KIM BEON-KYU 2006-10-12 US claimed
EP-1872173-B9 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL INC (US) 2011-01-05 EP disclosed
EP-1872173-B1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL INC (US) 2010-04-14 EP disclosed