SCHEMBL10489043

SCHEMBL10489043

C=C(C)C(=O)OC(COCCO)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.37
HPGD P15428 1/20 0.36
PABPC1 P11940 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ELANE P08246 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
GSR P00390 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 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
SCHEMBL15386006 0.85 EPHX2 (0.46) EPHX2HPGDALDH1A1SMN1; SMN2HTT
Ethylene Glycol SCHEMBL21772119 0.84 TSHR (0.44) HPGDPABPC1APOBEC3AAPOBEC3GELANE
SCHEMBL57281 0.82 TSHR (0.47) HPGDPABPC1APOBEC3AAPOBEC3GELANE
SCHEMBL1685753 0.82 GSR (0.46) HPGDPABPC1APOBEC3AAPOBEC3GELANE
SCHEMBL15385968 0.81 POLB (0.45) EPHX2HPGDALDH1A1HTTPKM
SCHEMBL11420153 0.81 THRB (0.45) EPHX2HPGDPABPC1APOBEC3AAPOBEC3G
SCHEMBL27876202 0.79 HPGD (0.42) HPGDPABPC1APOBEC3AAPOBEC3GELANE
SCHEMBL1372183 0.79 HPGD (0.42) HPGDPABPC1APOBEC3AAPOBEC3GELANE
SCHEMBL9738617 0.79 THRB (0.40) EPHX2NR1H2NR1H3ALDH1A1GSR
SCHEMBL15385978 0.79 LMNA (0.45) ALDH1A1SMN1; SMN2HTTTSHRPOLB

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
JP-1020216-A None JP disclosed
JP-S6420216-A PHOTOCURABLE RESIN COMPOSITION MATSUSHITA ELECTRIC WORKS LTD 1989-01-24 JP disclosed