SCHEMBL8718293

SCHEMBL8718293

N=C(N)c1ccc2oc(C(=O)N[C@H]3CC[C@H](OCC(=O)OCCO)CC3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 8/20 0.53
TPSD1 Q9BZJ3 8/20 0.53
TPSG1 Q9NRR2 8/20 0.53
F2 P00734 7/20 0.53
ITGB3 P05106 5/20 0.45
ITGA2B P08514 5/20 0.45
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL8904674 1.00 TPSAB1 (0.53) TPSAB1TPSD1TPSG1F2ITGB3
SCHEMBL8904590 0.91 TPSAB1 (0.53) TPSAB1TPSD1TPSG1F2ITGB3
SCHEMBL8712942 0.91 TPSAB1 (0.53) TPSAB1TPSD1TPSG1F2ITGB3
SCHEMBL8716704 0.87 F2 (0.55) TPSAB1TPSD1TPSG1F2ITGB3
SCHEMBL8904670 0.87 F2 (0.55) TPSAB1TPSD1TPSG1F2ITGB3
SCHEMBL8903361 0.86 F2 (0.51) TPSAB1TPSD1TPSG1F2ITGB3
SCHEMBL8905120 0.86 ITGB3 (0.47) TPSAB1TPSD1TPSG1F2ITGB3
SCHEMBL8712867 0.86 F2 (0.51) TPSAB1TPSD1TPSG1F2ITGB3
SCHEMBL8715707 0.86 ITGB3 (0.47) TPSAB1TPSD1TPSG1F2ITGB3
SCHEMBL8904684 0.84 ITGB3 (0.40) TPSAB1TPSD1TPSG1F2ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed