SCHEMBL3242909

SCHEMBL3242909

COC(=O)c1cc(O)c2c(ccc3oc4ccccc4c32)c1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAOA P21397 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
TNKS O95271 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 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
SCHEMBL3242562 0.83 HSD17B10 (0.49) HSD17B10NPC1RAB9AKDM4EALDH1A1
SCHEMBL7782009 0.79 MAPT (0.53) HSD17B10RAB9AKDM4EALDH1A1HPGD
SCHEMBL2470133 0.76 LMNA (0.55) HSD17B10SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL19760841 0.75 KDM4E (0.54) HSD17B10NPC1RAB9AMAOASMN1; SMN2
SCHEMBL9396501 0.74 CA12 (0.51) HSD17B10MAOASMN1; SMN2KDM4EALDH1A1
SCHEMBL7786715 0.71 MAPT (0.53) HSD17B10RAB9AKDM4EALDH1A1HPGD
SCHEMBL13152964 0.71 MAOA (0.45) HSD17B10NPC1RAB9AMAOASMN1; SMN2
SCHEMBL19195619 0.70 KDM4E (0.49) HSD17B10NPC1RAB9AMAOASMN1; SMN2
SCHEMBL18927126 0.70 KDM4E (0.49) HSD17B10NPC1RAB9AMAOASMN1; SMN2
SCHEMBL20349961 0.70 MAOA (0.54) HSD17B10NPC1RAB9AMAOASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642895-B1 Novel substituted naphthopyrans TRANSITIONS OPTICAL INC (US) 2010-03-31 EP disclosed
EP-1642895-A2 Novel substituted naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2006-04-05 EP disclosed
EP-0954522-B1 NOVEL SUBSTITUTED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2005-10-12 EP disclosed
EP-0954522-A1 NOVEL SUBSTITUTED NAPHTHOPYRANS PPG Industries Ohio, Inc. (US) 1999-11-10 EP disclosed
EP-0954522-A4 NOVEL SUBSTITUTED NAPHTHOPYRANS PPG IND OHIO INC (US) 1999-06-21 EP disclosed
US-5651923-A PHOTOCHROMIC ARTICLE TRANSITIONS OPTICAL, INC. (US) 1997-07-29 US disclosed
WO-1997021698-A1 NOVEL SUBSTITUTED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1997-06-19 WO disclosed