Sugi Predict

Sugi Predict / Compounds / SCHEMBL7277377

SCHEMBL7277377

SCHEMBL7277377

COC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C(=N)NC(=O)OCOC(C)=O)cn3)cc2)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.33
▸ IRAK4 Q9NWZ3 3/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL7337066 0.92 ITGB3 (0.53) ITGB3ITGA2BRXFP1IRAK4GPR119
SCHEMBL7285055 0.92 ITGB3 (0.53) ITGB3ITGA2BRXFP1IRAK4GPR119
SCHEMBL7304269 0.91 ITGB3 (0.54) ITGB3ITGA2BIRAK4
SCHEMBL7283492 0.89 ITGB3 (0.47) ITGB3ITGA2BRXFP1IRAK4GPR119
SCHEMBL7277671 0.88 ITGB3 (0.48) ITGB3ITGA2BRXFP1IRAK4
SCHEMBL7278638 0.88 ITGB3 (0.50) ITGB3ITGA2BRXFP1IRAK4GPR119
SCHEMBL7311942 0.85 ITGB3 (0.53) ITGB3ITGA2BIRAK4
SCHEMBL7308125 0.84 ITGB3 (0.52) ITGB3ITGA2BIRAK4
SCHEMBL7316759 0.84 ITGB3 (0.52) ITGB3ITGA2BIRAK4
SCHEMBL7302804 0.84 ITGB3 (0.54) ITGB3ITGA2BIRAK4

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