SCHEMBL23129679

SCHEMBL23129679

CC(=O)CCC(=O)NC1Cc2ccc(O)c(C(=O)O)c2OB1O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 11/20 0.35
▸ OPRM1 P35372 9/20 0.35
▸ OPRK1 P41145 9/20 0.35
▸ CAT P04040 1/20 0.30

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
SCHEMBL17347766 1.00 OPRD1 (0.35) OPRD1OPRM1OPRK1CAT
SCHEMBL17347663 0.90 CA12 (0.38) OPRD1OPRM1OPRK1
SCHEMBL23129930 0.90 CA12 (0.38) OPRD1OPRM1OPRK1
SCHEMBL17337495 0.88 CAT (0.43) CAT
SCHEMBL17337497 0.88 CAT (0.43) CAT
SCHEMBL17347939 0.88 — —
SCHEMBL17347824 0.88 CA12 (0.36) OPRD1OPRM1OPRK1CAT
SCHEMBL23130229 0.87 KDM4E (0.33) —
SCHEMBL17347770 0.87 KDM4E (0.33) —
SCHEMBL23837495 0.86 OPRD1 (0.33) OPRD1OPRM1OPRK1

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
EP-3154989-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2021-03-24 — — EP disclosed
Send feedback