SCHEMBL19982213

SCHEMBL19982213

COC(=O)C(Cc1ccccc1)NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.85

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 13/20 0.85
GAA P10253 1/20 0.57
GPR119 Q8TDV5 1/20 0.54
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
KLK5 Q9Y337 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
SCHEMBL19982212 1.00 YAP1 (0.85) YAP1GAAGPR119MEN1POLB
SCHEMBL19982071 0.92 YAP1 (1.00) YAP1GAAMAPTMAPK1NPSR1
SCHEMBL19982220 0.91 YAP1 (0.77) YAP1KMT2ANPSR1
SCHEMBL19982219 0.91 YAP1 (0.77) YAP1KMT2ANPSR1
SCHEMBL19976383 0.87 YAP1 (0.69) YAP1GAAPOLB
SCHEMBL19976384 0.87 YAP1 (0.69) YAP1GAAPOLB
SCHEMBL25754096 0.86 YAP1 (0.79) YAP1GPR119
SCHEMBL23296230 0.84 YAP1 (1.00) YAP1
SCHEMBL19982075 0.84 YAP1 (1.00) YAP1
SCHEMBL19982082 0.84 YAP1 (0.62) YAP1GAAMEN1POLBMAPT

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