SCHEMBL8714115

SCHEMBL8714115

CCOC(=O)CC[C@H]1CC[C@H](NC(=O)c2cc3cc(C(=N)N)ccc3o2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 4/20 0.48
TPSD1 Q9BZJ3 4/20 0.48
TPSG1 Q9NRR2 4/20 0.48
ITGB3 P05106 5/20 0.48
ITGA2B P08514 5/20 0.48
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
F2 P00734 7/20 0.43
F10 P00742 1/20 0.43
PLG P00747 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42

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
SCHEMBL8904376 1.00 TPSAB1 (0.48) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL8715492 0.92 ITGB3 (0.50) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL8715707 0.90 ITGB3 (0.47) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL8905120 0.90 ITGB3 (0.47) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL8717762 0.89 ITGB3 (0.48) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL8904810 0.89 ITGB3 (0.48) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL8905672 0.88 ITGB3 (0.47) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL8713948 0.88 ITGB3 (0.47) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL8713279 0.87 ITGB3 (0.60) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL8904690 0.87 ITGB3 (0.60) TPSAB1TPSD1TPSG1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US claimed
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 claimed
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