SCHEMBL7388902

SCHEMBL7388902

CCOC(=O)CC1COc2ccc(N(C)C(=O)c3ccc(C(=N)N4CCOCC4)cc3)cc2C1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.56
ITGA2B P08514 10/20 0.56
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MTNR1A P48039 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL7386307 0.95 ITGB3 (0.56) ITGB3ITGA2BRAB9AALDH1A1SMN1; SMN2
SCHEMBL7395937 0.94 ITGB3 (0.50) ITGB3ITGA2BRAB9AALDH1A1SMN1; SMN2
SCHEMBL7387130 0.91 ITGB3 (0.46) ITGB3ITGA2BL3MBTL1MTNR1A
SCHEMBL7388357 0.90 ITGB3 (0.50) ITGB3ITGA2BRAB9AALDH1A1SMN1; SMN2
SCHEMBL7395947 0.86 ITGB3 (0.46) ITGB3ITGA2BLMNAL3MBTL1MTNR1A
SCHEMBL7394072 0.86 ITGB3 (0.55) ITGB3ITGA2BRAB9AALDH1A1SMN1; SMN2
SCHEMBL7395667 0.86 ITGB3 (0.51) ITGB3ITGA2BRAB9AALDH1A1SMN1; SMN2
SCHEMBL7388905 0.86 MAPT (0.42) ITGB3ITGA2BRAB9AALDH1A1SMN1; SMN2
SCHEMBL7306587 0.86 ITGB3 (0.52) ITGB3ITGA2BMTNR1A
SCHEMBL7396721 0.85 ITGB3 (0.41) ITGB3ITGA2BL3MBTL1

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
EP-0760364-B1 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI CHEMICALS INC (JP) 2000-07-19 EP disclosed
EP-0760364-A2 Amidine derivatives and platelet aggregation inhibitor containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1997-03-05 EP disclosed