SCHEMBL15214871

SCHEMBL15214871

CCCCCC1CCC(c2ccc(-c3ccc(C(=O)Nc4ccc(-c5cc6c7c(c8c(c6cc5OC)OC(c5ccc(OC)cc5)(c5ccc(OC)cc5)C=C8)C(C)(C)c5c-7cc(C(F)(F)F)cc5C(F)(F)F)cc4)cc3)cc2)CC1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTTP P55157 2/20 0.32
PLG P00747 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
GCGR P47871 3/20 0.32
GIPR P48546 1/20 0.32
MGAT2 Q10469 2/20 0.32
MCHR1 Q99705 3/20 0.31
DGAT1 O75907 1/20 0.31
MAPK14 Q16539 1/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMO Q99835 1/20 0.31
CCR2 P41597 1/20 0.30
KCNH2 Q12809 1/20 0.30
P2RY14 Q15391 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL1962072 1.00 MTTP (0.32) MTTPPLGPLAUPLATGCGR
SCHEMBL12581522 0.96 MCHR1 (0.31) MTTPMCHR1P2RY14OPRM1OPRK1
SCHEMBL1964078 0.96 MCHR1 (0.31) MTTPMCHR1P2RY14OPRM1OPRK1
SCHEMBL12553408 0.95 MGAT2 (0.34) MGAT2DGAT1MAPK14MEN1RAB9A
SCHEMBL9973011 0.95 PLG (0.32) PLGPLAUPLATGCGRGIPR
SCHEMBL1964161 0.95 PLG (0.32) PLGPLAUPLATGCGRGIPR
SCHEMBL15214841 0.95 RAF1 (0.36) MTTPMAPK14MEN1KMT2A
SCHEMBL1961362 0.94 SMO (0.33) MTTPGCGRGIPRMGAT2MCHR1
SCHEMBL9972773 0.94 SMO (0.33) MTTPGCGRGIPRMGAT2MCHR1
SCHEMBL12553415 0.93 RAF1 (0.31) SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3045971-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2016-07-20 EP disclosed
EP-2652553-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-04-06 EP disclosed
US-8518546-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-08-27 US disclosed