SCHEMBL2497556

SCHEMBL2497556

COC(=O)C(C)=Cc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
HTR2B P41595 2/20 0.39
HTR7 P34969 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADRA2A P08913 1/20 0.39
MAOA P21397 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
KDM4E B2RXH2 4/20 0.38
MAPK1 P28482 1/20 0.38
PNMT P11086 1/20 0.37
MAPT P10636 5/20 0.36
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6990051 0.85 NPC1 (0.51) RAB9ANPC1HTR2BHTR7CYP1A2
SCHEMBL3410927 0.85 NPC1 (0.51) RAB9ANPC1HTR2BHTR7CYP1A2
SCHEMBL3751213 0.76 NPC1 (0.47) RAB9ANPC1HTR2BHTR7CYP1A2
SCHEMBL6389038 0.74 RAB9A (0.52) RAB9ANPC1HTR2BHTR7CYP1A2
SCHEMBL27700657 0.74 NPC1 (0.46) RAB9ANPC1HTR2BHTR7CYP1A2
SCHEMBL29180060 0.71 MAPT (0.44) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL8072253 0.71 MAPT (0.49) RAB9ANPC1KDM4EMAPK1MAPT
SCHEMBL8072257 0.71 MAPT (0.49) RAB9ANPC1KDM4EMAPK1MAPT
SCHEMBL1151461 0.71 RAB9A (0.49) RAB9ANPC1HTR2BHTR7CYP1A2
SCHEMBL499896 0.71 PNMT (0.49) RAB9ANPC1HTR2BHTR7MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2368939-A1 Resin composition for optical material, and resin film for optical material Hitachi Chemical Co., Ltd. (JP) 2011-09-28 EP disclosed