SCHEMBL8713767

SCHEMBL8713767

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
ITGB3 P05106 4/20 0.48
ITGA2B P08514 4/20 0.48
PRMT1 Q99873 2/20 0.47
F2 P00734 8/20 0.46
TPSAB1 Q15661 4/20 0.46
TPSD1 Q9BZJ3 4/20 0.46
TPSG1 Q9NRR2 4/20 0.46
PLG P00747 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NR1I2 O75469 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
AHR P35869 1/20 0.43
HTT P42858 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
SCHEMBL8718141 0.90 ITGB3 (0.49) RAB9ANPC1ITGB3ITGA2BPRMT1
SCHEMBL8716704 0.84 F2 (0.55) RAB9ANPC1ITGB3ITGA2BF2
SCHEMBL8904670 0.84 F2 (0.55) RAB9ANPC1ITGB3ITGA2BF2
SCHEMBL8904590 0.82 TPSAB1 (0.53) RAB9ANPC1ITGB3ITGA2BF2
SCHEMBL8712942 0.82 TPSAB1 (0.53) RAB9ANPC1ITGB3ITGA2BF2
SCHEMBL8712867 0.81 F2 (0.51) RAB9ANPC1ITGB3ITGA2BPRMT1
SCHEMBL8903361 0.81 F2 (0.51) RAB9ANPC1ITGB3ITGA2BPRMT1
SCHEMBL8712583 0.80 RAB9A (0.51) RAB9ANPC1ITGB3ITGA2BPRMT1
SCHEMBL8715029 0.80 RAB9A (0.51) RAB9ANPC1ITGB3ITGA2BPRMT1
SCHEMBL8713598 0.80 RAB9A (0.48) RAB9ANPC1ITGB3ITGA2BF2

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