SCHEMBL19982267

SCHEMBL19982267

COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)C[C@H]1CC[C@H](N)CC1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 17/20 0.73
PPARG P37231 1/20 0.56
LTA4H P09960 1/20 0.53

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
SCHEMBL25922255 0.91 YAP1 (0.74) YAP1PPARG
Hydrochloric Acid SCHEMBL28874615 0.90 YAP1 (0.68) YAP1PPARG
Hydrochloric Acid SCHEMBL28874618 0.90 YAP1 (0.68) YAP1PPARG
SCHEMBL19982136 0.88 YAP1 (0.75) YAP1PPARG
SCHEMBL19982180 0.88 YAP1 (0.75) YAP1PPARG
Hydrochloric Acid SCHEMBL30117562 0.87 YAP1 (0.74) YAP1PPARG
SCHEMBL19982081 0.87 YAP1 (0.80) YAP1PPARG
SCHEMBL19982106 0.86 YAP1 (0.72) YAP1PPARG
SCHEMBL19982058 0.86 YAP1 (0.77) YAP1
SCHEMBL19982135 0.86 YAP1 (0.83) YAP1PPARG

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