SCHEMBL7126396

SCHEMBL7126396

COc1ccc2c3c(ccc2c1)OC(c1ccccc1)(c1ccc(C)cc1)C=C3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 1/20 0.36
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HNF4A P41235 1/20 0.33
PPIB P23284 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 4/20 0.32
KDM4E B2RXH2 2/20 0.32
THRB P10828 2/20 0.32
HPGD P15428 2/20 0.32
TP53 P04637 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL5264237 0.94 CYP1A2 (0.41) CYP1A2CYP2A6HTTSMN1; SMN2ALDH1A1
SCHEMBL2134543 0.91 CYP11B1 (0.41) CYP1A2CYP2A6SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL7723531 0.90 CYP11B1 (0.41) CYP1A2CYP2A6SMN1; SMN2ALDH1A1CYP2C9
SCHEMBL7119512 0.88 KDM1A (0.39) CYP1A2CYP2A6HTTSMN1; SMN2ALDH1A1
SCHEMBL7122482 0.88 DPP4 (0.35) CYP1A2CYP2A6HTTSMN1; SMN2ALDH1A1
SCHEMBL8721095 0.87 KMT2A (0.40) CYP1A2HTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL7127029 0.87 TP53 (0.36) CYP1A2CYP2A6HTTSMN1; SMN2KDM4E
SCHEMBL7131287 0.86 KDM4E (0.40) CYP1A2CYP2A6HTTSMN1; SMN2ALDH1A1
SCHEMBL5615321 0.85 SMN1; SMN2 (0.43) CYP1A2CYP2A6HTTSMN1; SMN2ALDH1A1
SCHEMBL7122488 0.84 SIRT2 (0.37) CYP2A6HTTSMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628064-B2 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2003-12-10 EP claimed
EP-0628064-B1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 1999-04-07 EP claimed
EP-0628064-A4 PHOTOCHROMIC NAPHTHOPYRANS. PPG INDUSTRIES INC (US) 1995-02-08 EP claimed
EP-0628064-A1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1994-12-14 EP claimed
WO-1993017071-A1 PHOTOCHROMIC NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1993-09-02 WO claimed
US-5238981-A PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1993-08-24 US claimed
EP-0628064-B2 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2003-12-10 EP disclosed
EP-0628064-B1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 1999-04-07 EP disclosed
EP-0628064-A4 PHOTOCHROMIC NAPHTHOPYRANS. PPG INDUSTRIES INC (US) 1995-02-08 EP disclosed
EP-0628064-A1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1994-12-14 EP disclosed
US-5369158-A And polymer TRANSITIONS OPTICAL, INC. (US) 1994-11-29 US disclosed
WO-1993017071-A1 PHOTOCHROMIC NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1993-09-02 WO disclosed
US-5238981-A PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1993-08-24 US disclosed