SCHEMBL27422841

SCHEMBL27422841

CCCCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
AGTR1 P30556 1/20 0.42
LTB4R2 Q9NPC1 3/20 0.42
ADAMTS5 Q9UNA0 1/20 0.42
CYP1A2 P05177 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
CCKBR P32239 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL27422843 1.00 ALOX5 (0.44) ALOX5OPRM1OPRD1ALDH1A1MAPT
SCHEMBL31589275 0.86 ALOX5 (0.46) ALOX5OPRM1OPRD1ALDH1A1MAPT
SCHEMBL15143010 0.85 KMT2A (0.55) ALOX5OPRM1OPRD1ALDH1A1MAPT
SCHEMBL29670248 0.85 ALOX5 (0.41) ALOX5OPRM1OPRD1ALDH1A1MAPT
SCHEMBL14675140 0.85 HSD17B3 (0.44) OPRM1OPRD1ALDH1A1LTB4R2
SCHEMBL31589459 0.85 ALOX5 (0.44) ALOX5OPRM1OPRD1ALDH1A1MAPT
SCHEMBL8524697 0.84 LTB4R2 (0.44) ALOX5ALDH1A1AGTR1LTB4R2CYP1A2
SCHEMBL4589746 0.84 ACE (0.49) OPRM1OPRD1ALDH1A1MAPTADAMTS5
SCHEMBL16213138 0.83 HSD17B3 (0.46) OPRM1OPRD1ALDH1A1LTB4R2
SCHEMBL26985936 0.82 ITGB3 (0.46) ALOX5OPRM1OPRD1NPC1MMP9

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
CN-1043133-A imidazole-containing peptide and preparation method thereof TANABE SEIYAKU CO (JP) 1990-06-20 CN disclosed