SCHEMBL7296131

SCHEMBL7296131

CC(C)(C)OC(=O)CC1(O)CCC(N2CCN(c3cnc(C(N)=S)nc3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 7/20 0.38
GPR119 Q8TDV5 3/20 0.34
HRH3 Q9Y5N1 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
SYK P43405 1/20 0.31
ACVR1 Q04771 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31

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
SCHEMBL7295272 0.91 AOC3 (0.43) AOC3GPR119HRH3MEN1KMT2A
SCHEMBL7295259 0.91 AOC3 (0.43) AOC3GPR119HRH3MEN1KMT2A
SCHEMBL7305518 0.88 HRH3 (0.42) AOC3GPR119HRH3MEN1KMT2A
SCHEMBL7297485 0.85 MEN1 (0.45) AOC3GPR119HRH3MEN1KMT2A
SCHEMBL7304758 0.84 PANK3 (0.39) AOC3GPR119HRH3MEN1KMT2A
SCHEMBL7299584 0.83 HRH3 (0.42) AOC3GPR119HRH3MEN1KMT2A
SCHEMBL7303451 0.80 GPR119 (0.42) AOC3GPR119HRH3MEN1KMT2A
SCHEMBL7299587 0.79 HRH3 (0.36) AOC3GPR119HRH3MEN1KMT2A
SCHEMBL7293154 0.77 ALDH1A1 (0.34) GPR119HRH3MEN1KMT2AITGB3
SCHEMBL7297025 0.76 KMT2A (0.41) GPR119MEN1KMT2A

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-0609282-A1 CYCLOHEXANEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-08-10 EP disclosed
WO-1993008181-A1 CYCLOHEXANEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-04-29 WO disclosed
EP-0537980-A1 Cyclohexaneacetic acid derivatives as inhibitors of fibrinogen-dependent blood platelet aggregation GLAXO GROUP LIMITED (GB) 1993-04-21 EP disclosed