SCHEMBL8407952

SCHEMBL8407952

COC(=O)NC(=N)c1ccc(-c2ccc(C(=O)N3CCC(CC(=O)O)CC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.49
ITGA2B P08514 17/20 0.49
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8407957 0.91 POLB (0.43) ITGB3ITGA2BPOLBALDH1A1SMN1; SMN2
SCHEMBL8407358 0.87 SMN1; SMN2 (0.54) ITGB3ITGA2BPOLBALDH1A1SMN1; SMN2
SCHEMBL9568095 0.87 TGM2 (0.48) ITGB3ITGA2BPOLBALDH1A1SMN1; SMN2
SCHEMBL9568118 0.87 POLB (0.45) ITGB3ITGA2BPOLBALDH1A1SMN1; SMN2
SCHEMBL9568137 0.85 HRH3 (0.39) ITGB3ITGA2BPOLBALDH1A1SMN1; SMN2
SCHEMBL9568130 0.85 POLB (0.41) ITGB3ITGA2BPOLBALDH1A1SMN1; SMN2
SCHEMBL9568141 0.84 POLB (0.43) ITGB3ITGA2BPOLBALDH1A1SMN1; SMN2
SCHEMBL9568202 0.84 POLB (0.43) ITGB3ITGA2BPOLBALDH1A1SMN1; SMN2
SCHEMBL9568105 0.84 ITGB3 (0.43) ITGB3ITGA2BPOLBALDH1A1SMN1; SMN2
SCHEMBL9568089 0.84 LMNA (0.41) ITGB3ITGA2BPOLBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922763-A ANTICOAGULANT; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
US-5736559-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS KARL THOMAE GMBH (DE) 1998-04-07 US disclosed
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed