SCHEMBL21366491

SCHEMBL21366491

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

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 15/20 0.68
POLB P06746 2/20 0.48
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 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
SCHEMBL21358986 1.00 YAP1 (0.68) YAP1POLBSLC6A4SLC6A3
SCHEMBL28491331 0.94 YAP1 (0.65) YAP1POLB
SCHEMBL21366536 0.94 YAP1 (0.65) YAP1POLBSLC6A4SLC6A3
SCHEMBL21366439 0.94 YAP1 (0.65) YAP1POLB
SCHEMBL21359006 0.94 YAP1 (0.65) YAP1POLBSLC6A4SLC6A3
SCHEMBL21359030 0.94 YAP1 (0.65) YAP1POLB
SCHEMBL21359008 0.94 YAP1 (0.65) YAP1POLB
SCHEMBL21358884 0.93 YAP1 (0.64) YAP1POLB
SCHEMBL21366437 0.93 YAP1 (0.64) YAP1POLB
SCHEMBL21359050 0.92 YAP1 (0.62) YAP1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111989100-A YAP1 inhibitors targeting YAP1 interaction with OCT4 H·李·莫菲特癌症中心研究有限公司 2020-11-24 CN disclosed
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