SCHEMBL14610653

SCHEMBL14610653

NCCCN(Cc1ccc(F)c(F)c1F)C(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.52
LPAR5 Q9H1C0 7/20 0.52
ALOX5 P09917 1/20 0.47
LIMK2 P53671 1/20 0.46
PARP10 Q53GL7 1/20 0.45
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
LTA4H P09960 1/20 0.43

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
SCHEMBL14610646 0.85 LPAR1 (0.58) LPAR1LPAR5ALOX5LIMK2PARP10
SCHEMBL14610219 0.84 TRPM8 (0.56) LPAR1NPC1
SCHEMBL14610727 0.82 LPAR1 (0.65) LPAR1LPAR5ALOX5PARP10NR4A1
SCHEMBL14610713 0.79 LPAR1 (0.47) LPAR1LPAR5ALOX5LIMK2
SCHEMBL14610711 0.76 RAF1 (0.56) LPAR1LPAR5NPC1RAB9ASMN1; SMN2
SCHEMBL14610913 0.76 LPAR1 (0.55) LPAR1LPAR5ALOX5PARP10NR4A2
SCHEMBL14610004 0.76 TRPM8 (0.56) LPAR1LPAR5NPC1
SCHEMBL14610746 0.76 LPAR1 (0.47) LPAR1LPAR5LIMK2SMN1; SMN2
SCHEMBL14609997 0.75 LPAR1 (0.48) LPAR1LPAR5ALOX5
SCHEMBL14610636 0.74 EGFR (0.45) LIMK2NPC1RAB9ASMN1; SMN2

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
WO-2007017092-A1 SUBSTITUTED 4-BENZYLOXY-BENZOIC ACID AMIDE DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-02-15 WO disclosed