SCHEMBL11828652

SCHEMBL11828652

Cc1ccc(CCc2ccc(/C=C/CO)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
CA1 P00915 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
NFE2L2 Q16236 1/20 0.41
LMNA P02545 1/20 0.40
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
TNNC1 P63316 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
MAPT P10636 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39

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
SCHEMBL11828658 1.00 CYP4F2 (0.49) CYP4F2CYP4A11CYP3A4ALDH1A1RECQL
SCHEMBL82199 0.90 CYP3A4 (0.52) CYP3A4ALDH1A1RECQLCA1CYP2A6
SCHEMBL82198 0.90 CYP3A4 (0.52) CYP3A4ALDH1A1RECQLCA1CYP2A6
SCHEMBL10947499 0.80 TAAR1 (0.44) CYP4F2CYP4A11CYP3A4ALDH1A1RECQL
SCHEMBL7237180 0.79 TNNC1 (0.44) CYP4F2CYP4A11CA1CYP1A2CYP2A6
SCHEMBL7237178 0.79 TNNC1 (0.44) CYP4F2CYP4A11CA1CYP1A2CYP2A6
SCHEMBL9276381 0.78 ALDH1A1 (0.62) CYP4F2CYP4A11CYP3A4ALDH1A1RECQL
SCHEMBL9276383 0.78 ALDH1A1 (0.62) CYP4F2CYP4A11CYP3A4ALDH1A1RECQL
SCHEMBL8623290 0.78 ALDH1A1 (0.43) CYP4F2CYP4A11CYP3A4ALDH1A1RECQL
SCHEMBL2837688 0.78 ALOX5 (0.52) CYP4F2CYP4A11CYP3A4ALDH1A1RECQL

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
US-3995054-A MITICIDES ZOECON CORPORATION (US) 1976-11-30 US disclosed