SCHEMBL8904659

SCHEMBL8904659

N=C(N)c1ccc2oc(C(=O)NC3CCC(CCC(=O)OC4CCCCC4)CC3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
ITGB3 P05106 4/20 0.46
ITGA2B P08514 4/20 0.46
F2 P00734 9/20 0.46
TPSAB1 Q15661 4/20 0.46
TPSD1 Q9BZJ3 4/20 0.46
TPSG1 Q9NRR2 4/20 0.46
KDM4E B2RXH2 1/20 0.41
NR1I2 O75469 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
AHR P35869 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRSS1 P07477 3/20 0.41
PLG P00747 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
ST14 Q9Y5Y6 2/20 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
SCHEMBL8713598 1.00 RAB9A (0.48) RAB9ANPC1ITGB3ITGA2BF2
SCHEMBL8715492 0.88 ITGB3 (0.50) RAB9ANPC1ITGB3ITGA2BF2
SCHEMBL8717762 0.86 ITGB3 (0.48) RAB9ANPC1ITGB3ITGA2BF2
SCHEMBL8714115 0.86 TPSAB1 (0.48) RAB9ANPC1ITGB3ITGA2BF2
SCHEMBL8904376 0.86 TPSAB1 (0.48) RAB9ANPC1ITGB3ITGA2BF2
SCHEMBL8904810 0.86 ITGB3 (0.48) RAB9ANPC1ITGB3ITGA2BF2
SCHEMBL8904690 0.85 ITGB3 (0.60) RAB9ANPC1ITGB3ITGA2BF2
SCHEMBL8713279 0.85 ITGB3 (0.60) RAB9ANPC1ITGB3ITGA2BF2
SCHEMBL8905120 0.85 ITGB3 (0.47) RAB9ANPC1ITGB3ITGA2BF2
SCHEMBL8715707 0.85 ITGB3 (0.47) 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 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