SCHEMBL7304500

SCHEMBL7304500

CC(C)(C)OC(=O)CC1(O)CCC(N2CCN(c3ccc(C(=N)N)cc3-c3ccccc3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
ALOX15 P16050 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 5/20 0.35
BACE1 P56817 1/20 0.34
OPRL1 P41146 4/20 0.34
OPRM1 P35372 2/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AOC3 Q16853 1/20 0.33
ALK Q9UM73 1/20 0.33
NPY2R P49146 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7297503 0.92 L3MBTL1 (0.36) L3MBTL3L3MBTL1KDM4EALDH1A1BACE1
SCHEMBL7303605 0.89 ITGB3 (0.45) ITGB3ITGA2BALOX15L3MBTL3L3MBTL1
SCHEMBL7303596 0.89 ITGB3 (0.45) ITGB3ITGA2BALOX15L3MBTL3L3MBTL1
SCHEMBL7303591 0.89 ITGB3 (0.45) ITGB3ITGA2BALOX15L3MBTL3L3MBTL1
SCHEMBL7306124 0.86 ITGB3 (0.39) ITGB3ITGA2BALOX15OPRL1OPRM1
SCHEMBL7306131 0.86 ITGB3 (0.39) ITGB3ITGA2BALOX15OPRL1OPRM1
SCHEMBL7298324 0.84 ALK (0.45) KDM4EBACE1POLBTDP1ALK
SCHEMBL7304509 0.84 BACE1 (0.34) KDM4EALDH1A1BACE1OPRL1OPRM1
SCHEMBL7304305 0.78 ITGB3 (0.37) ITGB3ITGA2BALOX15KDM4EALDH1A1
SCHEMBL7304309 0.78 ITGB3 (0.37) ITGB3ITGA2BALOX15KDM4EALDH1A1

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
EP-0537980-A1 Cyclohexaneacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-04-21 EP disclosed