SCHEMBL7450313

SCHEMBL7450313

CC(C)(C)OC(=O)NCc1cccc(-c2ccc(C(=O)NCC(NC(=O)OCc3ccccc3)C(=O)OC(C)(C)C)s2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.49
ESRRG P62508 1/20 0.46
ACKR3 P25106 4/20 0.46
ITGB3 P05106 5/20 0.46
ITGAV P06756 5/20 0.46
ITGA2B P08514 5/20 0.46
HPGDS O60760 2/20 0.44
ITGB1 P05556 3/20 0.43
ITGA5 P08648 3/20 0.43
ITGB5 P18084 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSB P07858 2/20 0.42
CTSS P25774 2/20 0.42
CTSK P43235 1/20 0.42
NTSR1 P30989 1/20 0.41
GLS O94925 1/20 0.41
POLB P06746 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
CTSL P07711 1/20 0.40

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
SCHEMBL7450308 0.87 HPGDS (0.47) SYKESRRGACKR3ITGB3ITGAV
SCHEMBL7456394 0.84 SYK (0.53) SYKITGB3ITGAVITGA2BCTSB
SCHEMBL7456386 0.84 SYK (0.53) SYKITGB3ITGAVITGA2BCTSB
SCHEMBL7453000 0.83 ITGB3 (0.57) ESRRGACKR3ITGB3ITGAVITGA2B
SCHEMBL7444386 0.82 ITGB3 (0.44) SYKESRRGACKR3ITGB3ITGAV
SCHEMBL7962795 0.82 SYK (0.51) SYKITGB3ITGAVITGA2BCTSB
SCHEMBL7455995 0.82 SYK (0.51) SYKACKR3ITGB3ITGAVITGA2B
SCHEMBL7962798 0.82 SYK (0.51) SYKITGB3ITGAVITGA2BCTSB
SCHEMBL3897638 0.80 SYK (0.72) SYKCTSBCTSSCTSKCTSL
SCHEMBL7456483 0.79 ACKR3 (0.43) ESRRGACKR3ITGB3ITGAVITGA2B

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-1187825-A1 THIOPHENE INTEGRIN INHIBITORS Shire Biochem Inc. (CA) 2002-03-20 EP disclosed
US-6274620-B1 2-BENZENESULFONYLAMINO-3-((5-BROMO-THIOPHENE-2-CARBONYL)-AMINO )PROPIONIC ACID-TERT-BUTYL ESTERS AS ANGIOGENESIS INHIBITORS; ANTICARCINOGENIC AGENTS; OSTEOPOROSIS, RESTENOSIS, AND OCULAR NEOVASCULARIZATION BIOCHEM PHARMA INC. (CA) 2001-08-14 US disclosed
WO-2000075129-A1 THIOPHENE INTEGRIN INHIBITORS SHIRE BIOCHEM INC. (CA) 2000-12-14 WO disclosed