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Sugi Predict / Compounds / SCHEMBL19982219

SCHEMBL19982219

SCHEMBL19982219

COC(=O)C(Cc1ccc(O)cc1)NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 13/20 0.77
▸ MDM4 O15151 1/20 0.48
▸ MDM2 Q00987 1/20 0.48
▸ ITGB1 P05556 1/20 0.48
▸ ITGA4 P13612 1/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ IL2RA P01589 1/20 0.47
▸ ALB P02768 1/20 0.47
▸ IL2 P60568 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
SCHEMBL19982220 1.00 YAP1 (0.77) YAP1MDM4MDM2ITGB1ITGA4
SCHEMBL19982213 0.91 YAP1 (0.85) YAP1KMT2ANPSR1
SCHEMBL19982212 0.91 YAP1 (0.85) YAP1KMT2ANPSR1
SCHEMBL22929136 0.90 YAP1 (0.65) YAP1ITGB1ITGA4
SCHEMBL19982071 0.88 YAP1 (1.00) YAP1NPSR1
SCHEMBL25754096 0.87 YAP1 (0.79) YAP1ITGB1ITGA4
SCHEMBL19974617 0.87 YAP1 (0.65) YAP1MDM4MDM2KMT2ANPSR1
SCHEMBL19974618 0.87 YAP1 (0.65) YAP1MDM4MDM2KMT2ANPSR1
SCHEMBL19982184 0.80 YAP1 (0.84) YAP1MDM4MDM2IL2RA
SCHEMBL19982251 0.80 YAP1 (0.84) YAP1MDM4MDM2IL2RA

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