SCHEMBL7300817

SCHEMBL7300817

CC(C)(C)OC(=O)CC1COc2ccc(C(=O)Nc3ccc(NC(=N)N)cc3)cc2C1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.60
ITGA2B P08514 8/20 0.60
RAB9A P51151 7/20 0.40
NPC1 O15118 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
CASP3 P42574 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
TP53 P04637 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
PLAU P00749 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MTNR1A P48039 1/20 0.38
ROCK2 O75116 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7303165 0.95 ITGB3 (0.67) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2
SCHEMBL7299150 0.95 ITGB3 (0.67) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2
SCHEMBL7306491 0.90 ITGB3 (0.59) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2
SCHEMBL7307054 0.90 ITGB3 (0.76) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2
SCHEMBL7305310 0.87 ITGB3 (0.78) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2
SCHEMBL7303362 0.87 ITGB3 (0.71) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2
SCHEMBL7309322 0.85 ITGB3 (0.66) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2
SCHEMBL7300485 0.84 ITGB3 (0.67) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2
SCHEMBL7300011 0.84 ITGB3 (0.64) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2
SCHEMBL7297755 0.83 ITGB3 (0.59) ITGB3ITGA2BPLAU

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