SCHEMBL3264549

SCHEMBL3264549

COC(=O)C(CC(=O)O)=C(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
MEN1 O00255 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
SRD5A2 P31213 1/20 0.40
GSK3B P49841 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1010516 0.86 TSHR (0.48) MAPTKDM4EKMT2ATDP1LMNA
SCHEMBL3268749 0.85 RAB9A (0.41) ALDH1A1MAPTKDM4EKMT2ARAB9A
SCHEMBL6382642 0.85 CA1 (0.52) ALDH1A1LMNARAB9ANPC1HDAC1
SCHEMBL17736802 0.83 CYP19A1 (0.51) ALDH1A1MAPTKMT2ALMNAPOLB
SCHEMBL9899633 0.82 SMN1; SMN2 (0.47) ALDH1A1MAPTLMNARAB9ANPC1
SCHEMBL9899631 0.82 SMN1; SMN2 (0.47) ALDH1A1MAPTLMNARAB9ANPC1
SCHEMBL3267872 0.81 NPC1 (0.44) ALDH1A1MAPTKDM4EKMT2ALMNA
SCHEMBL6555908 0.81 CES2 (0.56) ALDH1A1KDM4EKMT2ARAB9ANPC1
SCHEMBL6555910 0.81 CES2 (0.56) ALDH1A1KDM4EKMT2ARAB9ANPC1
SCHEMBL3267871 0.81 NPC1 (0.44) ALDH1A1MAPTKDM4EKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465963-B1 PHOTOCHROMIC POLYMER COMPOSITIONS AND ARTICLES THEREOF TRANSITIONS OPTICAL INC (US) 2010-03-03 EP disclosed
US-20070001155-A1 Photochromic polymer compositions and articles thereof WALTERS ROBERT W 2007-01-04 US disclosed
EP-1265885-B1 HYDROXYLATED/CARBOXYLATED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2005-06-22 EP disclosed
EP-0792468-B2 NOVEL PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRANS PPG IND OHIO INC (US) 2005-05-04 EP disclosed
EP-1208392-B1 PROCESS FOR THE MANUFACTURE OF A CROSSLINKED, TRANSPARENT, HYDROPHILIC AND PHOTOCHROMIC POLYMERIC MATERIAL, AND OPTICAL AND OPHTHALMIC ARTICLE OBTAINED ESSILOR INT (FR) 2004-09-22 EP disclosed
US-20030141490-A1 Photochromic polymer compositions and articles thereof TRANSITIONS OPTICAL, INC. 2003-07-31 US disclosed
US-6555028-B2 Polymeric matrix compatibilized naphthopyrans TRANSITIONS OPTICAL, INC. 2003-04-29 US disclosed
EP-1265885-A2 HYDROXYLATED/CARBOXYLATED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2002-12-18 EP disclosed
EP-1208392-A1 PROCESS FOR THE MANUFACTURE OF A CROSSLINKED, TRANSPARENT, HYDROPHILIC AND PHOTOCHROMIC POLYMERIC MATERIAL, AND OPTICAL AND OPHTHALMIC ARTICLE OBTAINED ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2002-05-29 EP disclosed
EP-0792468-B1 NOVEL PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRANS PPG IND OHIO INC (US) 2002-04-03 EP disclosed
US-20010025948-A1 Polymeric matrix compatibilized naphthopyrans TRANSITIONS OPTICAL LIMITED (IE) 2001-10-04 US disclosed
WO-2001070719-A2 HYDROXYLATED/CARBOXYLATED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2001-09-27 WO disclosed
WO-2001009645-A1 PROCESS FOR THE MANUFACTURE OF A CROSSLINKED, TRANSPARENT, HYDROPHILIC AND PHOTOCHROMIC POLYMERIC MATERIAL, AND OPTICAL AND OPHTHALMIC ARTICLE OBTAINED ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2001-02-08 WO disclosed
US-6113814-A PHOTOCHROMIC; END-CAPPED WITH A POLYMERIZABLE GROUP. TRANSITIONS OPTICAL, INC. (US) 2000-09-05 US disclosed
US-5645767-A PLASTIC LENSES, WINDOWS, BATHOCHROMIC SHIFT FOR WAVELENGTHS IN VISIBLE SPECTRUM TRANSITIONS OPTICAL, INC. (US) 1997-07-08 US disclosed
WO-1996014596-A1 NOVEL PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1996-05-17 WO disclosed