SCHEMBL7127029

SCHEMBL7127029

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
MAOB P27338 1/20 0.35
ACP1 P24666 3/20 0.35
AHR P35869 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
CYP19A1 P11511 1/20 0.32
DPP4 P27487 2/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
HTT P42858 1/20 0.31

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 0.90 CYP1A2 (0.41) TP53CYP1A2CYP2A6SMN1; SMN2KDM4E
SCHEMBL5615504 0.89 AHR (0.38) TP53ACP1AHRCYP1A2SMN1; SMN2
SCHEMBL2134543 0.87 CYP11B1 (0.41) CYP1A2CYP2A6SMN1; SMN2KDM4ENPC1
SCHEMBL7126396 0.87 CYP1A2 (0.36) TP53MAOBCYP1A2CYP2A6SMN1; SMN2
SCHEMBL7723531 0.86 CYP11B1 (0.41) CYP1A2CYP2A6SMN1; SMN2KDM4ENPC1
SCHEMBL7119512 0.84 KDM1A (0.39) TP53MAOBCYP1A2CYP2A6SMN1; SMN2
SCHEMBL5615529 0.84 ALDH1A1 (0.42) CYP1A2SMN1; SMN2KDM4ENPC1HPGD
SCHEMBL7131287 0.82 KDM4E (0.40) TP53CYP1A2CYP2A6SMN1; SMN2KDM4E
SCHEMBL5615321 0.81 SMN1; SMN2 (0.43) CYP1A2CYP2A6SMN1; SMN2KDM4ENPC1
SCHEMBL7160609 0.81 TP53 (0.40) TP53CYP1A2CYP2A6SMN1; SMN2KDM4E

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-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
US-5585042-A REVERSIBLE CHANGE IN COLOR WHEN EXPOSURED TO ULTRAVIOLET RADIATION TRANSITIONS OPTICAL, INC. (US) 1996-12-17 US 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