SCHEMBL19982193

SCHEMBL19982193

COC(=O)C(Cc1ccc(OC)cc1)NC(=O)CC1CCN(C(=O)CCc2ccccc2)CC1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 17/20 0.85
GAA P10253 1/20 0.52
IL2RA P01589 1/20 0.50

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
SCHEMBL19982192 1.00 YAP1 (0.85) YAP1GAAIL2RA
SCHEMBL19974576 0.94 YAP1 (0.82) YAP1
SCHEMBL23296257 0.94 YAP1 (0.82) YAP1
SCHEMBL19982141 0.92 YAP1 (1.00) YAP1GAAIL2RA
SCHEMBL24043545 0.92 YAP1 (1.00) YAP1GAAIL2RA
SCHEMBL19982102 0.92 YAP1 (1.00) YAP1GAAIL2RA
SCHEMBL19982251 0.92 YAP1 (0.84) YAP1GAAIL2RA
SCHEMBL19982184 0.92 YAP1 (0.84) YAP1GAAIL2RA
SCHEMBL21366277 0.91 YAP1 (0.83) YAP1
SCHEMBL21366154 0.91 YAP1 (0.72) YAP1

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