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SCHEMBL19975446

SCHEMBL19975446

O=C(CC1CCN(C(=O)O)CC1)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1CCCCC1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 17/20 0.79
▸ KDM4E B2RXH2 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ TSHR P16473 1/20 0.49

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
SCHEMBL19975444 1.00 YAP1 (0.79) YAP1KDM4EL3MBTL1TSHR
SCHEMBL19975511 0.97 YAP1 (0.83) YAP1KDM4ETSHR
SCHEMBL19975509 0.97 YAP1 (0.83) YAP1KDM4ETSHR
SCHEMBL19974531 0.93 YAP1 (0.81) YAP1KDM4EL3MBTL1
SCHEMBL19982187 0.91 YAP1 (0.95) YAP1KDM4EL3MBTL1
SCHEMBL19982188 0.90 YAP1 (0.97) YAP1KDM4EL3MBTL1TSHR
SCHEMBL19982160 0.90 YAP1 (0.97) YAP1KDM4EL3MBTL1TSHR
SCHEMBL19982287 0.90 YAP1 (0.83) YAP1KDM4EL3MBTL1
SCHEMBL19982279 0.89 YAP1 (0.84) YAP1L3MBTL1
SCHEMBL19982186 0.88 YAP1 (1.00) YAP1KDM4ETSHR

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
EP-3512839-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. Lee Moffitt Cancer Center And Research Institute, Inc. (US) 2019-07-24 — — EP disclosed
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