SCHEMBL10982682

SCHEMBL10982682

CCCCc1cccc(CCCC)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.45
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
TYR P14679 2/20 0.42
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
KCNH2 Q12809 2/20 0.40

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
SCHEMBL630180 0.89 LIPG (0.41) LIPGALOX5PTGS2TYRBID
SCHEMBL819273 0.85 LIPG (0.45) LIPGALOX5PTGS2TYRBID
SCHEMBL9283084 0.85 CYP3A4 (0.50) LIPGALOX5PTGS2TYRBID
SCHEMBL21901481 0.85 LIPG (0.39) LIPGALOX5PTGS2TYRBID
SCHEMBL8094335 0.85 ALDH1A1 (0.42) LIPGALOX5PTGS2
SCHEMBL8090805 0.85 TYR (0.40) LIPGALOX5PTGS2TYRBID
SCHEMBL10601839 0.85 LIPG (0.39) LIPGALOX5PTGS2TYRBID
SCHEMBL822159 0.85 TYR (0.53) ALOX5PTGS2TYRBIDMCL1
SCHEMBL6546504 0.84 TLR8 (0.44) LIPGTLR8
SCHEMBL27695035 0.84 TSHR (0.40) LIPGALOX5PTGS2BIDMCL1

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
US-4538003-A TREATMENT WITH MAGNESIUM OR ZINC ORGANOMETALLIC REAGENTS IN PRESENE OF A NICKEL BIDENTATE OR TRIDENTATE PHOSPHOROUS LIGAND E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-08-27 US disclosed
US-4508863-A WITH BRANCHED ALPHA-OLEFINS OLIGOMERS ARGUS CHEMICAL CORPORATION (US) 1985-04-02 US disclosed