SCHEMBL12384222

SCHEMBL12384222

CNCC(=O)NC(CC(=O)O)C(=O)NC(C)Cc1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.46
▸ OPRD1 P41143 12/20 0.44
▸ OPRM1 P35372 6/20 0.44
▸ OPRK1 P41145 3/20 0.44
▸ FOLH1 Q04609 1/20 0.41
▸ NAALAD2 Q9Y3Q0 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ ACE P12821 2/20 0.41
▸ MME P08473 1/20 0.41
▸ CPA1 P15085 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CCKAR P32238 3/20 0.40
▸ CCKBR P32239 3/20 0.40

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
SCHEMBL25627199 0.86 OPRD1 (0.46) ACACBOPRD1OPRM1OPRK1MMP9
SCHEMBL25627130 0.82 PTPN1 (0.52) OPRD1OPRM1OPRK1ACE
SCHEMBL25627360 0.78 CHRND (0.48) —
SCHEMBL22352135 0.78 OPRD1 (0.48) OPRD1OPRM1OPRK1MMP8CCKAR
SCHEMBL20763448 0.78 OPRD1 (0.48) OPRD1OPRM1OPRK1MMP8CCKAR
SCHEMBL22352358 0.78 OPRD1 (0.48) OPRD1OPRM1OPRK1MMP8CCKAR
SCHEMBL20763011 0.78 OPRD1 (0.48) OPRD1OPRM1OPRK1MMP8CCKAR
SCHEMBL20614626 0.78 OPRD1 (0.48) OPRD1OPRM1OPRK1MMP8CCKAR
SCHEMBL20756477 0.78 OPRD1 (0.48) OPRD1OPRM1OPRK1MMP8CCKAR
SCHEMBL25627484 0.77 ENPEP (0.43) OPRD1OPRM1OPRK1MMP9MMP8

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-7989532-B2 RGD polypeptide grafted poly (glycolic acid-L-lysine-L-lactic acid) / β tricalcium phosphate composite material and preparation method thereof WUHAN UNIVERSITY OF TECHNOLOGY (CN) 2011-08-02 — — US disclosed
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