SCHEMBL28012863

SCHEMBL28012863

CCC(C)(Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1)C(=O)O

nearest known ligand 0.90

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.90
▸ ESR1 P03372 3/20 0.50
▸ ESR2 Q92731 3/20 0.50
▸ PPARA Q07869 6/20 0.44
▸ PPARG P37231 5/20 0.44
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ PSMB1 P20618 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ PSMB2 P49721 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ ELANE P08246 1/20 0.34
▸ ALOX5AP P20292 1/20 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
Clinofibrate SCHEMBL20339978 0.95 ADORA3 (1.00) ADORA3ESR1ESR2PPARAPPARG
Clinofibrate SCHEMBL3955329 0.95 ADORA3 (1.00) ADORA3ESR1ESR2PPARAPPARG
Clinofibrate SCHEMBL31290 0.95 ADORA3 (1.00) ADORA3ESR1ESR2PPARAPPARG
Clinofibrate SCHEMBL11223466 0.94 ADORA3 (0.97) ADORA3ESR1ESR2PPARAPPARG
SCHEMBL12918479 0.91 ADORA3 (0.92) ADORA3ESR1ESR2PPARAPPARG
SCHEMBL12918476 0.90 ADORA3 (0.90) ADORA3ESR1ESR2PPARAPPARG
SCHEMBL12918474 0.89 ADORA3 (0.88) ADORA3PPARAPPARGMEN1KMT2A
SCHEMBL15682176 0.88 ADORA3 (0.69) ADORA3ESR1ESR2PPARAPPARG
SCHEMBL5141872 0.84 ADORA3 (0.60) ADORA3ESR1ESR2PPARAPPARG
SCHEMBL5369095 0.84 ADORA3 (0.60) ADORA3ESR1ESR2PPARAPPARG

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-104610051-A Method for preparing clinofibrate impurities BEIJING VENTUREPHARM BIOTECH CORP 2015-05-13 — — CN disclosed
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