SCHEMBL11427747

SCHEMBL11427747

CCCC(CCC)Pc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
FFAR1 O14842 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
POLB P06746 2/20 0.33
TP53 P04637 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
ESR1 P03372 1/20 0.32
LMNA P02545 1/20 0.32
HIF1A Q16665 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL27593098 0.91 LMNA (0.34) AOC3SMN1; SMN2FFAR1GPR84POLB
SCHEMBL28286989 0.86 AOC3 (0.35) AOC3SMN1; SMN2FFAR1GPR84
SCHEMBL3712831 0.82 AOC3 (0.36) AOC3SMN1; SMN2FFAR1GPR84POLB
SCHEMBL2231032 0.81 LMNA (0.39) AOC3GPR84TP53ESR1LMNA
SCHEMBL21516482 0.80 SMN1; SMN2 (0.38) AOC3SMN1; SMN2FFAR1GPR84POLB
SCHEMBL27932074 0.78 CSNK1E (0.38) OPRM1OPRD1OPRK1OPRL1ESR1
SCHEMBL28871426 0.75 ALDH1A1 (0.35) POLBOPRM1OPRD1OPRK1OPRL1
SCHEMBL27497906 0.74 LMNA (0.34) TP53LMNA
SCHEMBL28076752 0.74 CSNK1E (0.39) OPRM1OPRD1OPRK1OPRL1
SCHEMBL27948076 0.72 AOC3 (0.33) AOC3SMN1; SMN2FFAR1GPR84

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-4225497-A ACID CATALYSTS FOR IMIDATION RHONE-POULENC INDUSTRIES (FR) 1980-09-30 US claimed
US-4225497-A ACID CATALYSTS FOR IMIDATION RHONE-POULENC INDUSTRIES (FR) 1980-09-30 US disclosed