SCHEMBL21366484

SCHEMBL21366484

COC(=O)C(Cc1ccc(OC)cc1)NC(=O)CC1CCN(C(=O)CCc2cccc(F)c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 16/20 0.73
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.44

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
SCHEMBL30465116 1.00 YAP1 (0.73) YAP1KMT2AGAA
SCHEMBL21366483 1.00 YAP1 (0.73) YAP1KMT2AGAA
SCHEMBL21366363 0.94 YAP1 (0.77) YAP1KMT2AGAA
SCHEMBL21366364 0.94 YAP1 (0.77) YAP1KMT2AGAA
SCHEMBL21366535 0.93 YAP1 (0.69) YAP1KMT2A
SCHEMBL21358991 0.93 YAP1 (0.69) YAP1KMT2A
SCHEMBL21366366 0.92 YAP1 (0.71) YAP1KMT2AGAA
SCHEMBL21366135 0.92 YAP1 (0.71) YAP1KMT2AGAA
SCHEMBL30465113 0.92 YAP1 (0.71) YAP1KMT2AGAA
SCHEMBL24043586 0.92 YAP1 (0.69) YAP1KMT2AGAA

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
WO-2019178401-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-09-19 WO disclosed