SCHEMBL7285473

SCHEMBL7285473

NCc1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3)cc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.62
ITGA2B P08514 1/20 0.62
PPARD Q03181 4/20 0.40
PPARA Q07869 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
DGAT1 O75907 3/20 0.35
THRB P10828 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
IRAK4 Q9NWZ3 4/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
TP53 P04637 2/20 0.34
FFAR1 O14842 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL7283786 0.89 ITGB3 (0.73) ITGB3ITGA2BPPARDPPARAIRAK4
SCHEMBL7277434 0.85 ITGB3 (0.80) ITGB3ITGA2BPPARDPPARASMN1; SMN2
SCHEMBL7273790 0.83 ITGB3 (0.70) ITGB3ITGA2BPPARDPPARAIRAK4
SCHEMBL7280863 0.82 ITGB3 (0.61) ITGB3ITGA2BPPARDPPARAIRAK4
SCHEMBL7283795 0.81 ITGB3 (0.71) ITGB3ITGA2BPPARDPPARAIRAK4
SCHEMBL7284188 0.81 ITGB3 (0.71) ITGB3ITGA2BPPARDPPARAIRAK4
SCHEMBL7284309 0.79 ITGB3 (0.71) ITGB3ITGA2BPPARDPPARAIRAK4
SCHEMBL7277088 0.77 ITGB3 (0.78) ITGB3ITGA2BPPARDPPARAIRAK4
SCHEMBL7275425 0.77 ITGB3 (0.81) ITGB3ITGA2BPPARDPPARAIRAK4
SCHEMBL7275588 0.77 ITGB3 (0.81) ITGB3ITGA2BPPARDPPARAIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5455348-A Anticoagulants Thomae, Karl (DE) 1995-10-03 US disclosed
EP-0528369-A2 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-02-24 EP disclosed