SCHEMBL7455995

SCHEMBL7455995

CC(C)(C)OC(=O)C(CNC(=O)c1ccc(Br)s1)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.51
ITGB3 P05106 3/20 0.51
ITGAV P06756 3/20 0.51
ITGA2B P08514 3/20 0.51
CTSS P25774 5/20 0.45
CTSL P07711 3/20 0.45
CTSB P07858 3/20 0.45
CTSK P43235 5/20 0.43
ACKR3 P25106 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KYNU Q16719 1/20 0.41
PPARA Q07869 1/20 0.41
TACR1 P25103 1/20 0.41

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
SCHEMBL7456386 0.90 SYK (0.53) SYKITGB3ITGAVITGA2BCTSS
SCHEMBL7456394 0.90 SYK (0.53) SYKITGB3ITGAVITGA2BCTSS
SCHEMBL7962795 0.88 SYK (0.51) SYKITGB3ITGAVITGA2BCTSS
SCHEMBL7962798 0.88 SYK (0.51) SYKITGB3ITGAVITGA2BCTSS
SCHEMBL6016434 0.83 ITGB3 (0.61) SYKITGB3ITGAVITGA2BCTSS
SCHEMBL6016196 0.83 ITGB3 (0.46) SYKITGB3ITGAVITGA2BCTSS
SCHEMBL6016195 0.83 ITGB3 (0.46) SYKITGB3ITGAVITGA2BCTSS
SCHEMBL7450313 0.82 SYK (0.49) SYKITGB3ITGAVITGA2BCTSS
SCHEMBL7229962 0.82 ITGB3 (0.51) SYKITGB3ITGAVITGA2BCTSS
SCHEMBL6016219 0.82 ITGB3 (0.60) SYKITGB3ITGAVITGA2BCTSS

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