SCHEMBL8905672

SCHEMBL8905672

CC(C)OC(=O)CCC1CCC(NC(=O)c2cc3cc(C(=N)N)ccc3o2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.47
ITGA2B P08514 8/20 0.47
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
F2 P00734 6/20 0.43
TPSAB1 Q15661 4/20 0.41
TPSD1 Q9BZJ3 4/20 0.41
TPSG1 Q9NRR2 4/20 0.41

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
SCHEMBL8713948 1.00 ITGB3 (0.47) ITGB3ITGA2BRAB9ANPC1F2
SCHEMBL8715492 0.91 ITGB3 (0.50) ITGB3ITGA2BRAB9ANPC1F2
SCHEMBL8904376 0.88 TPSAB1 (0.48) ITGB3ITGA2BRAB9ANPC1F2
SCHEMBL8717762 0.88 ITGB3 (0.48) ITGB3ITGA2BRAB9ANPC1F2
SCHEMBL8904810 0.88 ITGB3 (0.48) ITGB3ITGA2BRAB9ANPC1F2
SCHEMBL8714115 0.88 TPSAB1 (0.48) ITGB3ITGA2BRAB9ANPC1F2
SCHEMBL8904690 0.86 ITGB3 (0.60) ITGB3ITGA2BRAB9ANPC1F2
SCHEMBL8713279 0.86 ITGB3 (0.60) ITGB3ITGA2BRAB9ANPC1F2
SCHEMBL8905120 0.86 ITGB3 (0.47) ITGB3ITGA2BRAB9ANPC1F2
SCHEMBL8715707 0.86 ITGB3 (0.47) ITGB3ITGA2BRAB9ANPC1F2

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 2 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 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