SCHEMBL8712867

SCHEMBL8712867

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.51
TPSAB1 Q15661 7/20 0.51
TPSD1 Q9BZJ3 7/20 0.51
TPSG1 Q9NRR2 7/20 0.51
ITGB3 P05106 4/20 0.45
ITGA2B P08514 4/20 0.45
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
PRMT1 Q99873 1/20 0.40
F10 P00742 1/20 0.39

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
SCHEMBL8903361 1.00 F2 (0.51) F2TPSAB1TPSD1TPSG1ITGB3
SCHEMBL8904590 0.89 TPSAB1 (0.53) F2TPSAB1TPSD1TPSG1ITGB3
SCHEMBL8712942 0.89 TPSAB1 (0.53) F2TPSAB1TPSD1TPSG1ITGB3
SCHEMBL8716704 0.87 F2 (0.55) F2TPSAB1TPSD1TPSG1ITGB3
SCHEMBL8904670 0.87 F2 (0.55) F2TPSAB1TPSD1TPSG1ITGB3
SCHEMBL8905136 0.87 RAB9A (0.40) F2TPSAB1TPSD1TPSG1ITGB3
SCHEMBL8712955 0.87 RAB9A (0.40) F2TPSAB1TPSD1TPSG1ITGB3
SCHEMBL8712889 0.87 HPGDS (0.41) F2TPSAB1TPSD1TPSG1RAB9A
SCHEMBL8905109 0.87 HPGDS (0.41) F2TPSAB1TPSD1TPSG1RAB9A
SCHEMBL8904810 0.86 ITGB3 (0.48) F2TPSAB1TPSD1TPSG1ITGB3

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