SCHEMBL8718141

SCHEMBL8718141

CCC(=O)OC1CCC(NC(=O)c2cc3cc(C(=N)N)ccc3o2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.49
ITGA2B P08514 4/20 0.49
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
F2 P00734 9/20 0.47
TPSAB1 Q15661 5/20 0.46
TPSD1 Q9BZJ3 5/20 0.46
TPSG1 Q9NRR2 5/20 0.46
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
ST14 Q9Y5Y6 1/20 0.44
F10 P00742 1/20 0.44
PRMT1 Q99873 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 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
SCHEMBL8713767 0.90 RAB9A (0.49) ITGB3ITGA2BRAB9ANPC1F2
SCHEMBL8904590 0.87 TPSAB1 (0.53) ITGB3ITGA2BRAB9ANPC1F2
SCHEMBL8712942 0.87 TPSAB1 (0.53) ITGB3ITGA2BRAB9ANPC1F2
SCHEMBL8713598 0.84 RAB9A (0.48) ITGB3ITGA2BRAB9ANPC1F2
SCHEMBL8904659 0.84 RAB9A (0.48) ITGB3ITGA2BRAB9ANPC1F2
SCHEMBL8716704 0.84 F2 (0.55) ITGB3ITGA2BRAB9ANPC1F2
SCHEMBL8904670 0.84 F2 (0.55) ITGB3ITGA2BRAB9ANPC1F2
SCHEMBL8714115 0.84 TPSAB1 (0.48) ITGB3ITGA2BRAB9ANPC1F2
SCHEMBL8904376 0.84 TPSAB1 (0.48) ITGB3ITGA2BRAB9ANPC1F2
SCHEMBL8903361 0.83 F2 (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed