SCHEMBL7308755

SCHEMBL7308755

CCCCOC(=O)[C@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.54
ITGA2B P08514 11/20 0.54
CTSL P07711 2/20 0.50
CTSS P25774 2/20 0.50
CTSK P43235 2/20 0.50
P2RX7 Q99572 5/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
ITGAV P06756 1/20 0.48
CTSB P07858 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
SCHEMBL2866586 0.91 P2RX7 (0.53) ITGB3ITGA2BCTSLCTSSCTSK
SCHEMBL2866584 0.91 P2RX7 (0.53) ITGB3ITGA2BCTSLCTSSCTSK
SCHEMBL30229545 0.91 ALDH1A1 (0.54) ITGB3ITGA2BCTSLCTSSCTSK
SCHEMBL2419128 0.89 ALDH1A1 (0.56) ITGB3ITGA2BCTSLCTSSCTSK
SCHEMBL2861260 0.89 ALDH1A1 (0.56) ITGB3ITGA2BCTSLCTSSCTSK
SCHEMBL8932447 0.87 POLB (0.44) ITGB3ITGA2BMEN1ALDH1A1LMNA
SCHEMBL1721706 0.87 POLB (0.44) ITGB3ITGA2BMEN1ALDH1A1LMNA
SCHEMBL7318182 0.87 ITGB3 (0.61) ITGB3ITGA2BP2RX7KDM4EMEN1
SCHEMBL15020052 0.87 ITGB3 (0.61) ITGB3ITGA2BP2RX7KDM4EMEN1
SCHEMBL2861161 0.86 P2RX7 (0.59) ITGB3ITGA2BCTSLCTSSCTSK

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