SCHEMBL5516508

SCHEMBL5516508

O=C(N[C@@H](Cc1ccc(OP(=O)(O)C(F)F)cc1)C(=O)NCCCCOc1ccccc1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.55
ITGA2B P08514 12/20 0.55
HDAC8 Q9BY41 2/20 0.51
ITGAV P06756 1/20 0.49
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
F2 P00734 1/20 0.48
PLAU P00749 1/20 0.48
PLAT P00750 1/20 0.48
TACR1 P25103 1/20 0.48

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
SCHEMBL3749757 0.97 ITGB3 (0.56) ITGB3ITGA2BHDAC8ITGAVCTSS
SCHEMBL3735130 0.94 ITGB3 (0.49) ITGB3ITGA2BHDAC8CTSSCTSK
SCHEMBL3743063 0.93 ITGB3 (0.53) ITGB3ITGA2BHDAC8CTSSCTSK
SCHEMBL3730050 0.93 ITGB3 (0.55) ITGB3ITGA2BHDAC8CTSSCTSK
SCHEMBL3742534 0.93 HDAC8 (0.55) ITGB3ITGA2BHDAC8CTSSCTSK
SCHEMBL3730018 0.91 SRC (0.55) ITGB3ITGA2BHDAC8CTSSCTSK
SCHEMBL3736640 0.90 SRC (0.58) ITGB3ITGA2BHDAC8CTSSCTSK
SCHEMBL3742962 0.90 CTSS (0.52) ITGB3ITGA2BHDAC8CTSSCTSK
SCHEMBL3737601 0.89 ITGB3 (0.49) ITGB3ITGA2BHDAC8CTSSCTSK
SCHEMBL3798555 0.88 PTPN1 (0.47) ITGB3ITGA2BHDAC8CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP disclosed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 WO disclosed