SCHEMBL7301305

SCHEMBL7301305

COC(=O)C[C@H]1C(=O)N(CC(=O)OC(C)(C)C(N)=O)CCN1C(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.43
HDAC8 Q9BY41 1/20 0.40
STAT3 P40763 2/20 0.39
YAP1 P46937 1/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39

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
SCHEMBL7371888 0.93 P2RX7 (0.48) P2RX7HDAC8YAP1CTSLCTSK
SCHEMBL7371887 0.93 P2RX7 (0.48) P2RX7HDAC8YAP1CTSLCTSK
SCHEMBL7371886 0.93 P2RX7 (0.48) P2RX7HDAC8YAP1CTSLCTSK
SCHEMBL7308737 0.89 P2RX7 (0.47) P2RX7HDAC8CTSLCTSSCTSK
SCHEMBL7297146 0.88 P2RX7 (0.49) P2RX7YAP1CTSLCTSKITGB3
SCHEMBL7298331 0.87 ITGB3 (0.46) P2RX7HDAC8CTSLCTSSCTSK
SCHEMBL7307823 0.87 P2RX7 (0.46) P2RX7YAP1CTSLCTSSCTSK
SCHEMBL7303718 0.86 P2RX7 (0.43) P2RX7HDAC8CTSLCTSSCTSK
SCHEMBL7284866 0.83 P2RX7 (0.44) P2RX7HDAC8YAP1CTSLCTSS
SCHEMBL7284869 0.83 P2RX7 (0.44) P2RX7HDAC8YAP1CTSLCTSS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643072-B1 2-Piperazinone compounds and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-02-24 EP disclosed
US-5550131-A ANTITHROMBOTIC AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-27 US disclosed
EP-0643072-A1 2-Piperazinone compounds and their use Takeda Chemical Industries, Ltd. (JP) 1995-03-15 EP disclosed