SCHEMBL19982188

SCHEMBL19982188

O=C(CC1CCN(C(=O)CCc2ccccc2)CC1)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1CCCC1

nearest known ligand 0.97

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 17/20 0.97
KDM4E B2RXH2 1/20 0.49
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL19982160 1.00 YAP1 (0.97) YAP1KDM4ETSHRL3MBTL1
SCHEMBL19982187 0.99 YAP1 (0.95) YAP1KDM4EL3MBTL1
SCHEMBL19982186 0.98 YAP1 (1.00) YAP1KDM4ETSHR
SCHEMBL19982185 0.97 YAP1 (1.00) YAP1TSHR
SCHEMBL23296249 0.97 YAP1 (1.00) YAP1TSHR
SCHEMBL19974531 0.91 YAP1 (0.81) YAP1KDM4EL3MBTL1
SCHEMBL23296259 0.90 YAP1 (0.82) YAP1
SCHEMBL19982189 0.90 YAP1 (0.82) YAP1
SCHEMBL22929117 0.90 YAP1 (0.88) YAP1
SCHEMBL19975444 0.90 YAP1 (0.79) YAP1KDM4ETSHRL3MBTL1

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-2018053446-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-03-22 WO disclosed