SCHEMBL845280

SCHEMBL845280

CCc1c(C)ccc(-c2ccccc2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
ESR2 Q92731 1/20 0.41
CYP2A6 P11509 1/20 0.39
CYP2B6 P20813 1/20 0.39
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
GCGR P47871 2/20 0.36
USP7 Q93009 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.34
PTGS1 P23219 2/20 0.34

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
SCHEMBL6027622 0.84 PDCD1 (0.53) PDCD1CD274ESR2CYP2A6CYP2B6
SCHEMBL8679020 0.82 CD274 (0.47) PDCD1CD274ESR2CYP2A6CYP2B6
SCHEMBL10755148 0.82 PDCD1 (0.43) PDCD1CD274ESR2CYP2A6CYP2B6
SCHEMBL10972725 0.82 PDCD1 (0.43) PDCD1CD274ESR2CYP2A6CYP2B6
SCHEMBL29699190 0.79 PDCD1 (0.47) PDCD1CD274ESR2CYP2A6CYP2B6
SCHEMBL9717406 0.79 PDCD1 (0.47) PDCD1CD274ESR2CYP2A6CYP2B6
SCHEMBL861566 0.78 PTGS1 (0.51) PDCD1CD274ESR2KDM4EMEN1
SCHEMBL10601329 0.78 IDH1 (0.41) ESR2CYP2A6CYP2B6KDM4EMEN1
SCHEMBL11060977 0.78 RXRA (0.40) PDCD1CD274ESR2PARP10PARP11
SCHEMBL14337637 0.77 ESR2 (0.47) PDCD1CD274ESR2CYP2A6CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1160094-B1 Heat-sensitive recording material OJI PAPER CO (JP) 2003-09-03 EP claimed
WO-2011063154-A2 RADIATION DETECTOR AND METHOD OF USING A RADIATION DETECTOR SAINT-GOBAIN CERAMICS & PLASTICS, INC. (US) 2011-05-26 WO disclosed