Sugi Predict

Sugi Predict / Compounds / SCHEMBL19976374

SCHEMBL19976374

SCHEMBL19976374

O=C(CC1CCN(C(=O)O)CC1)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 17/20 0.71
▸ TSHR P16473 1/20 0.49
▸ PLG P00747 1/20 0.47
▸ PRSS1 P07477 1/20 0.47
▸ PRSS2 P07478 1/20 0.47
▸ PRSS3 P35030 1/20 0.47

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
SCHEMBL19976373 1.00 YAP1 (0.71) YAP1TSHRPLGPRSS1PRSS2
SCHEMBL19982087 0.91 YAP1 (0.86) YAP1
SCHEMBL19974625 0.90 YAP1 (0.69) YAP1
SCHEMBL19974624 0.90 YAP1 (0.69) YAP1
SCHEMBL19982163 0.89 YAP1 (0.84) YAP1
SCHEMBL19975554 0.88 YAP1 (0.70) YAP1
SCHEMBL19975552 0.88 YAP1 (0.70) YAP1
SCHEMBL19975509 0.88 YAP1 (0.83) YAP1TSHR
SCHEMBL19975511 0.88 YAP1 (0.83) YAP1TSHR
SCHEMBL19975444 0.87 YAP1 (0.79) YAP1TSHR

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