SCHEMBL27286804

SCHEMBL27286804

C=Cc1c(C)cccc1CCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
LIPG Q9Y5X9 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS2 P35354 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
BID P55957 3/20 0.35
MCL1 Q07820 3/20 0.35
BCL2L1 Q07817 2/20 0.35
BAK1 Q16611 2/20 0.35
KAT8 Q9H7Z6 2/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
EP300 Q09472 1/20 0.35
KAT2A Q92830 1/20 0.35
KAT2B Q92831 1/20 0.35

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
SCHEMBL6284367 0.88 TAAR1 (0.39) TAAR1TSHR
SCHEMBL12802233 0.88 CYP3A4 (0.42) CYP3A4CYP2D6CYP2C9THRATHRB
SCHEMBL28632291 0.84 GAA (0.39) CYP3A4CYP2D6CYP2C9LIPGALOX5
SCHEMBL12802010 0.82 LIPG (0.48) THRATHRBLIPGALOX5PTGS2
SCHEMBL4951173 0.81 CYP3A4 (0.38) CYP3A4CYP2D6CYP2C9THRATHRB
SCHEMBL12802299 0.81 LIPG (0.52) THRATHRBLIPGALOX5PTGS2
SCHEMBL2775950 0.80 GABRA1 (0.43) CYP3A4PTGS2TAAR1
SCHEMBL23713343 0.80 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C9THRATHRB
SCHEMBL10899090 0.80 BID (0.47) CYP3A4CYP2D6CYP2C9THRATHRB
SCHEMBL6280042 0.79 TAAR1 (0.36) TAAR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101605828-B Method for producing polymer for oil-resistant rubber, polymer for oil-resistant rubber, composition for oil-resistant weather-resistant rubber, and rubber molded body JSR CORP JP 2012-11-28 CN disclosed
CN-101605828-A Oil-proofness rubber with the method for making of polymkeric substance, oil-proofness rubber with polymkeric substance, oil-resistant weather-resistant rubber with composition and rubber-moulding body JSR CORP (JP) 2009-12-16 CN disclosed
CN-1007818-B IMPACT RESISTANT POLYMERIC COMPOSITIONS SHELL INT RESEARCH (NL) 1990-05-02 CN disclosed
CN-86105690-A IMPACT RESISTANT POLYMERIC COMPOSITIONS 1987-04-08 CN disclosed