SCHEMBL7697072

SCHEMBL7697072

COC(=O)[C@H](CNC(=O)CON=C(C)c1ccc(C(=N)N)cc1)NS(=O)(=O)c1cccc(C)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 9/20 0.41
▸ ITGB3 P05106 5/20 0.40
▸ ITGA2B P08514 5/20 0.40
▸ TMPRSS6 Q8IU80 4/20 0.39
▸ PLAU P00749 4/20 0.38
▸ HPN P05981 4/20 0.38
▸ HPGD P15428 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ PLG P00747 1/20 0.37

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
SCHEMBL7700495 0.92 ITGB3 (0.47) F2ITGB3ITGA2BTMPRSS6PLAU
SCHEMBL7700493 0.92 ITGB3 (0.47) F2ITGB3ITGA2BTMPRSS6PLAU
SCHEMBL7703837 0.88 ALDH1A1 (0.45) F2HPGD
SCHEMBL7702556 0.87 MAPT (0.41) F2ITGB3ITGA2BTMPRSS6PLAU
SCHEMBL7702564 0.87 MAPT (0.41) F2ITGB3ITGA2BTMPRSS6PLAU
SCHEMBL7702509 0.84 ITGB3 (0.48) F2ITGB3ITGA2BF10
SCHEMBL7702515 0.84 ITGB3 (0.48) F2ITGB3ITGA2BF10
SCHEMBL7698698 0.81 ITGB3 (0.40) F2ITGB3ITGA2BTMPRSS6PLAU
SCHEMBL7698702 0.81 ITGB3 (0.40) F2ITGB3ITGA2BTMPRSS6PLAU
SCHEMBL7697141 0.79 ITGB3 (0.45) F2ITGB3ITGA2BTMPRSS6PLAU

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
US-6348504-B1 COMPOUNDS WITH AMIDINE OR GUANIDINE GROUPS AND CARBOXY OR ESTER GROUPS THROMBOLYTICS AND/OR FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS. DUPONT PHARMACEUTICALS COMPANY 2002-02-19 — — US disclosed
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