SCHEMBL22689909

SCHEMBL22689909

O=C(NC(CCC(=O)N1CCCC1)C(=O)O)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.66
ITGA2B P08514 8/20 0.66
ITGAV P06756 6/20 0.57
ACE P12821 1/20 0.54
FOLH1 Q04609 1/20 0.51
ITGB5 P18084 1/20 0.50

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
SCHEMBL5130791 0.99 ITGB3 (0.65) ITGB3ITGA2BITGAVACEFOLH1
SCHEMBL5579946 0.99 ITGB3 (0.65) ITGB3ITGA2BITGAVACEFOLH1
SCHEMBL29557195 0.93 ITGB3 (0.58) ITGB3ITGA2BITGAVACE
SCHEMBL29400646 0.92 ITGB3 (0.57) ITGB3ITGA2BITGAVACE
SCHEMBL28703518 0.92 ITGB3 (0.57) ITGB3ITGA2BITGAVACE
SCHEMBL19125526 0.90 ITGB3 (0.66) ITGB3ITGA2BITGAV
SCHEMBL13324009 0.88 ITGB3 (0.55) ITGB3ITGA2BITGAVACE
SCHEMBL14077189 0.87 ITGB3 (0.53) ITGB3ITGA2BITGAVACE
SCHEMBL13323977 0.86 ITGB3 (0.53) ITGB3ITGA2BITGAVACE
SCHEMBL21994894 0.85 ITGB3 (0.61) ITGB3ITGA2BITGAVACEFOLH1

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-3972605-A1 A NOVEL THERAPY FOR ERYTHROPOIETIC PROTOPORPHYRIA (EPP) AND X-LINKED PROTOPORPHYRIA (XLP) University of Pittsburgh - of the Commonwealth System of Higher Education (US) 2022-03-30 EP disclosed
CN-114096250-A Novel therapy for erythropoietic protoporphyrinopathy (EPP) and X-linked protoporphyrinopathy (XLP) 匹兹堡大学联邦高等教育系统 2022-02-25 CN disclosed
WO-2020236901-A1 A NOVEL THERAPY FOR ERYTHROPOIETIC PROTOPORPHYRIA (EPP) AND X-LINKED PROTOPORPHYRIA (XLP) UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-11-26 WO disclosed