SCHEMBL7273255

SCHEMBL7273255

CCOC(=O)NC(=N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.68
ITGA2B P08514 1/20 0.68
MASP2 O00187 2/20 0.36
ACACB O00763 1/20 0.35
PPARD Q03181 5/20 0.34
PPARA Q07869 3/20 0.34
PPARG P37231 3/20 0.34
FFAR1 O14842 2/20 0.34
SRD5A2 P31213 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KLKB1 P03952 1/20 0.33
RARB P10826 3/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL7284980 0.93 ITGB3 (0.58) ITGB3ITGA2BMASP2ACACBSRD5A2
SCHEMBL7285046 0.93 ITGB3 (0.73) ITGB3ITGA2BMASP2PPARDPPARA
SCHEMBL7284195 0.92 ITGB3 (0.57) ITGB3ITGA2BMASP2ACACBSRD5A2
SCHEMBL7282312 0.89 ITGB3 (0.58) ITGB3ITGA2BMASP2ACACBKCNH2
SCHEMBL7273446 0.89 ITGB3 (0.65) ITGB3ITGA2BMASP2PPARDPPARA
SCHEMBL7312463 0.87 ITGB3 (0.51) ITGB3ITGA2BMASP2ACACBKCNH2
SCHEMBL7301931 0.87 ITGB3 (0.51) ITGB3ITGA2BMASP2ACACBFFAR1
SCHEMBL7281433 0.86 ITGB3 (0.55) ITGB3ITGA2BMASP2
SCHEMBL7311942 0.86 ITGB3 (0.53) ITGB3ITGA2BMASP2ACACBKCNH2
SCHEMBL7273484 0.86 ITGB3 (0.77) ITGB3ITGA2BPPARDPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed