SCHEMBL11028529

SCHEMBL11028529

CCOP(=O)(CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)c1ccc(OCc2ccccc2)cc1)OCC

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.51
TACR1 P25103 2/20 0.50
CTSL P07711 3/20 0.49
CTSK P43235 2/20 0.49
CTSB P07858 2/20 0.49
CTSS P25774 1/20 0.49
F2 P00734 1/20 0.47
ITGB3 P05106 5/20 0.47
ITGA2B P08514 5/20 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
SCHEMBL11028528 0.82 F2 (0.58) HDAC8TACR1CTSLCTSKCTSB
SCHEMBL10784747 0.76 CAPN1 (0.64) HDAC8CTSLCTSKCTSBCTSS
SCHEMBL14338209 0.75 ALDH1A1 (0.63) HDAC8TACR1CTSLCTSKCTSB
SCHEMBL9483288 0.75 PPARG (0.67) HDAC8CTSLCTSKCTSBCTSS
SCHEMBL9483283 0.75 PPARG (0.67) HDAC8CTSLCTSKCTSBCTSS
SCHEMBL1023326 0.74 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL9161282 0.74 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL27703721 0.74 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL14338208 0.74 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL10786202 0.74 ITGB3 (0.57) HDAC8TACR1CTSLCTSKCTSB

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
EP-0061172-B1 PHOSPHORUS-CONTAINING OLIGOPEPTIDES, PROCESSES FOR PREPARATION THEREOF AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-06-19 EP disclosed