SCHEMBL7790968

SCHEMBL7790968

Cc1noc(C)c1S(=O)(=O)N[C@](CNC(=O)C[C@H]1CC(c2ccc(C(=N)N)cc2)NO1)(CC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 16/20 0.46
▸ ITGA2B P08514 16/20 0.46
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ITGB2 P05107 2/20 0.33
▸ ITGAM P11215 2/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL7790872 0.85 ITGB3 (0.45) ITGB3ITGA2BALDH1A1TSHRITGB2
SCHEMBL7790950 0.85 ITGB3 (0.45) ITGB3ITGA2BALDH1A1TSHRITGB2
SCHEMBL7441476 0.85 ITGB3 (0.45) ITGB3ITGA2BALDH1A1TSHRITGB2
SCHEMBL7790913 0.85 ITGB3 (0.45) ITGB3ITGA2BALDH1A1TSHRITGB2
SCHEMBL7446099 0.85 ITGB3 (0.45) ITGB3ITGA2BALDH1A1TSHRITGB2
SCHEMBL7793885 0.83 ITGB3 (0.46) ITGB3ITGA2BALDH1A1TSHRITGB2
SCHEMBL7449964 0.81 ITGB3 (0.68) ITGB3ITGA2B
SCHEMBL7447180 0.81 ITGB3 (0.68) ITGB3ITGA2B
SCHEMBL7442644 0.81 ITGB3 (0.68) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7450135 0.81 ITGB3 (0.68) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832077-B1 IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARM CO (US) 2001-11-14 — — EP disclosed
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