SCHEMBL28107686

SCHEMBL28107686

CCC(CC)(CC(=O)OC1CCCC1)C(=O)OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.47
EPHX1 P07099 2/20 0.42
HTT P42858 3/20 0.41
CYP2C19 P33261 1/20 0.40
CYP19A1 P11511 3/20 0.38
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
HRH1 P35367 2/20 0.33
KCNH2 Q12809 2/20 0.33
MLNR O43193 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
OPRK1 P41145 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
SCHEMBL28784765 0.98 NAAA (0.49) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL19690609 0.89 NAAA (0.46) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL28107682 0.89 EPHX1 (0.46) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL19690607 0.85 EPHX1 (0.45) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL8980126 0.80 NAAA (0.47) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL20637500 0.79 NAAA (0.45) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL13278561 0.79 CHRM3 (0.37) NAAAEPHX1CYP2C19CYP19A1CHRM2
SCHEMBL6576698 0.77 NAAA (0.51) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL28134650 0.77 NAAA (0.47) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL16267418 0.77 NAAA (0.43) NAAAEPHX1HTTCYP2C19CYP19A1

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
CN-107043491-A Process for preparing impact resistant propylene polymer compositions 巴塞尔聚烯烃意大利有限责任公司 2017-08-15 CN disclosed
CN-103476806-B Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限责任公司 2016-12-07 CN disclosed