SCHEMBL11123333

SCHEMBL11123333

CCOC(=O)CC(Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)OC

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 2/20 0.74
MME P08473 1/20 0.56
ALDH1A1 P00352 1/20 0.52
THRB P10828 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL11119566 0.90 BIRC2 (0.60) BIRC2MME
SCHEMBL7320279 0.85 BIRC2 (0.76) BIRC2MMEALDH1A1THRBCYP2C9
SCHEMBL10956146 0.83 BIRC2 (0.57) BIRC2MMEALDH1A1THRBCYP2C9
SCHEMBL10952896 0.81 BIRC2 (0.55) BIRC2MMEALDH1A1THRBCYP2C9
SCHEMBL10956206 0.81 BIRC2 (0.55) BIRC2MMEALDH1A1THRBCYP2C9
SCHEMBL10948445 0.81 BIRC2 (0.55) BIRC2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL7309896 0.81 BIRC2 (0.70) BIRC2MMEALDH1A1THRBCYP2C9
SCHEMBL9755830 0.81 BIRC2 (0.70) BIRC2MME
SCHEMBL7320818 0.81 BIRC2 (0.69) BIRC2MMEALDH1A1THRBCYP2C9
SCHEMBL7321243 0.81 BIRC2 (0.69) BIRC2MMEALDH1A1THRBCYP2C9

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-0038046-B1 PHARMACEUTICAL AMIDES, AND PREPARATION, FORMULATIONS AND USE THEREOF THE WELLCOME FOUNDATION LIMITED (GB) 1984-02-29 EP disclosed