SCHEMBL17860258

SCHEMBL17860258

CCC(=O)N[C@H](C(=O)N[C@@H](C)C(C)=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38

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
SCHEMBL19776873 0.85 CYP2C9 (0.38) CYP2C9
SCHEMBL21120357 0.84 CYP2C9 (0.37) CYP2C9
SCHEMBL17860260 0.83 FAAH (0.46)
SCHEMBL23289273 0.82 CYP2C9 (0.42) CYP2C9
SCHEMBL13932943 0.82 CYP2C9 (0.45) CYP2C9
SCHEMBL22267166 0.82 CYP2C9 (0.45) CYP2C9
SCHEMBL15996559 0.82 CYP2C9 (0.45) CYP2C9
SCHEMBL10001823 0.82 CYP2C9 (0.48) CYP2C9
SCHEMBL13402414 0.82 CYP2C9 (0.48) CYP2C9
SCHEMBL18164083 0.82 CYP2C9 (0.48) CYP2C9

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
WO-2017162663-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 WO disclosed
WO-2016096610-A1 ANTIBODY-DRUG CONJUGATES (ADCS) OF KSP INHIBITORS WITH AGLYCOSYLATED ANTI-TWEAKR ANTIBODIES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 WO disclosed