SCHEMBL7306491

SCHEMBL7306491

CCOC(=O)CC1COc2ccc(C(=O)Nc3ccc(NC(=N)N)cc3)cc2C1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.59
ITGA2B P08514 7/20 0.59
RAB9A P51151 9/20 0.47
MAPT P10636 3/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 8/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
CASP3 P42574 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 3/20 0.39
GLA P06280 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MALT1 Q9UDY8 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
SCHEMBL7309322 0.95 ITGB3 (0.66) ITGB3ITGA2BRAB9AMAPTTSHR
SCHEMBL7300485 0.94 ITGB3 (0.67) ITGB3ITGA2BRAB9AMAPTTSHR
SCHEMBL7300817 0.90 ITGB3 (0.60) ITGB3ITGA2BRAB9AMAPTTSHR
SCHEMBL7309823 0.89 ITGB3 (0.76) ITGB3ITGA2BRAB9AMAPTTSHR
SCHEMBL7300011 0.88 ITGB3 (0.64) ITGB3ITGA2BRAB9AMAPTTSHR
Hydrochloric Acid SCHEMBL7321989 0.88 ITGB3 (0.75) ITGB3ITGA2BRAB9AMAPTTSHR
SCHEMBL7305310 0.86 ITGB3 (0.78) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2
SCHEMBL7307505 0.86 ITGB3 (0.49) ITGB3ITGA2BRAB9AMAPTTSHR
SCHEMBL7303362 0.86 ITGB3 (0.71) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2
SCHEMBL7303165 0.85 ITGB3 (0.67) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2

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
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed