SCHEMBL28428779

SCHEMBL28428779

CCCCCc1c(C(=O)c2ccccc2)ccc(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.43
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
NAAA Q02083 1/20 0.41
RARB P10826 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CXCR5 P32302 1/20 0.39
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
CNR1 P21554 1/20 0.39
AKR1C3 P42330 1/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
PPARA Q07869 1/20 0.38

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
Ammonia Solution, Strong SCHEMBL1422472 0.85 CES2 (0.49) CES2CES1NAAARARBPPARA
SCHEMBL8025733 0.83 RARB (0.52) RARBALDH1A1PPARA
SCHEMBL11699273 0.82 CNR2 (0.43) CNR2CES2CES1NAAAALDH1A1
SCHEMBL5431954 0.81 RARB (0.55) RARBALDH1A1PPARA
SCHEMBL1963286 0.80 MAPT (0.45) CNR2CES2CES1NAAARARB
SCHEMBL27832902 0.80 RARB (0.45) CNR2CES2CES1NAAARARB
SCHEMBL29291134 0.80 CES2 (0.43) CNR2CES2CES1NAAARARB
SCHEMBL17318745 0.79 BID (0.48) CNR2CES2CES1NAAACNR1
SCHEMBL11230459 0.79 BID (0.48) CNR2PPARA
SCHEMBL27756644 0.79 AKR1C3 (0.50) CES2CES1AKR1C3PPARA

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
CN-108602367-B Ink jet recording method 富士胶片株式会社 2020-07-14 CN disclosed