SCHEMBL7358634

SCHEMBL7358634

COCCOc1ccc(C[C@H](N)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.50
ITGB3 P05106 3/20 0.47
ITGA2B P08514 3/20 0.47
LTA4H P09960 2/20 0.44
PPARG P37231 9/20 0.43
PPARD Q03181 5/20 0.43
PPARA Q07869 4/20 0.43
PTPN1 P18031 1/20 0.39

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
SCHEMBL1541948 0.89 ITGB3 (0.59) ITGB3ITGA2BLTA4HPTPN1
SCHEMBL16940459 0.88 ITGB3 (0.51) ACACBITGB3ITGA2BLTA4H
SCHEMBL106531 0.85 LDHA (0.53) ACACBLTA4HPPARGPPARAPTPN1
SCHEMBL7518497 0.85 LDHA (0.53) ACACBLTA4HPPARGPPARAPTPN1
SCHEMBL7346010 0.85 LDHA (0.53) ACACBLTA4HPPARGPPARAPTPN1
SCHEMBL6871466 0.85 ITGB3 (0.51) ITGB3ITGA2BLTA4HPPARG
SCHEMBL16173552 0.84 LTA4H (0.46) ACACBITGB3ITGA2BLTA4HPTPN1
SCHEMBL14405380 0.84 LTA4H (0.46) ACACBITGB3ITGA2BLTA4HPTPN1
Acetic Acid SCHEMBL6866559 0.83 ITGB3 (0.47) ACACBITGB3ITGA2BLTA4HPPARG
SCHEMBL27564491 0.83 LTA4H (0.46) ACACBITGB3ITGA2BLTA4HPTPN1

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
WO-1992014706-A1 CYCLOPENTANE-DERIVED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS PFIZER LIMITED (GB) 1992-09-03 WO disclosed