SCHEMBL9417017

SCHEMBL9417017

CCCCCCCCCCN(Cc1cc(C)c(O)c(C=C(C)c2ccccc2)c1)Cc1cc(C)c(O)c(C=C(C)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.40
OPRM1 P35372 3/20 0.40
DRD3 P35462 3/20 0.40
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
KCNH2 Q12809 5/20 0.38
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 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
SCHEMBL9416939 0.90 PTGS2 (0.37) OPRM1OPRD1OPRK1ALOX5PTGS1
SCHEMBL9417080 0.87 PTGS2 (0.38) ALOX5PTGS1PTGS2
SCHEMBL9416986 0.84 HTT (0.41) OPRM1OPRD1OPRK1ALOX5PTGS1
SCHEMBL9416974 0.81 ALOX5 (0.32) OPRK1HDAC1ALOX5PTGS1PTGS2
SCHEMBL9417050 0.81 ALDH1A1 (0.39) ALOX5PTGS1PTGS2
SCHEMBL9417069 0.81 KDM4E (0.43) ALOX5PTGS1PTGS2
SCHEMBL9417011 0.81 DRD2 (0.40) DRD2OPRM1DRD3OPRD1OPRK1
SCHEMBL9417022 0.79 PTGS2 (0.33) ALOX5PTGS1PTGS2
SCHEMBL9417007 0.78 KDM4E (0.36) ALOX5PTGS1PTGS2APP
SCHEMBL9417117 0.76 ALOX5 (0.32) OPRM1ALOX5PTGS1PTGS2

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-5358652-A Using 3,5-dihydrocarbyl-4-hydroxybenzylamine compound ETHYL PETROLEUM ADDITIVES, LIMITED (GB) 1994-10-25 US disclosed