SCHEMBL7987170

SCHEMBL7987170

CC(C)(C)OC(=O)N1CCC(CCCCOc2ccc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)cc2NC(=O)OCC(Cl)(Cl)Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.53
ITGB3 P05106 6/20 0.49
ITGA2B P08514 6/20 0.49
ITGAV P06756 1/20 0.49
P2RX7 Q99572 8/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL7987174 1.00 YAP1 (0.53) YAP1ITGB3ITGA2BITGAVP2RX7
SCHEMBL7986551 0.83 ITGB3 (0.71) YAP1ITGB3ITGA2BITGAVP2RX7
SCHEMBL7292244 0.83 ITGB3 (0.71) YAP1ITGB3ITGA2BITGAVP2RX7
SCHEMBL7272131 0.81 YAP1 (0.71) YAP1ITGB3ITGA2BITGAVP2RX7
SCHEMBL7988198 0.80 ITGB3 (0.45) YAP1ITGB3ITGA2BITGAV
SCHEMBL24336797 0.79 YAP1 (0.66) YAP1ITGB3ITGA2BITGAVP2RX7
SCHEMBL7282664 0.78 YAP1 (0.72) YAP1ITGB3ITGA2BITGAVP2RX7
SCHEMBL3008274 0.78 YAP1 (0.60) YAP1ITGB3ITGA2BP2RX7MAPK1
SCHEMBL3008280 0.78 YAP1 (0.60) YAP1ITGB3ITGA2BP2RX7MAPK1
SCHEMBL12652625 0.78 YAP1 (0.60) YAP1ITGB3ITGA2BP2RX7MAPK1

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
US-6248304-B1 PIPERIDINE COMPOUND BERLEX LABORATORIES, INC. 2001-06-19 US disclosed