SCHEMBL27878732

SCHEMBL27878732

O=C(COC1CCCCC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 3/20 0.44
CYP2D6 P10635 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 2/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL5799404 0.98 ALDH1A1 (0.47) KMT2AALDH1A1MEN1CYP1A2CYP2C9
SCHEMBL13623506 0.91 ALDH1A1 (0.49) KMT2AALDH1A1MEN1CYP1A2CYP2C9
SCHEMBL4727617 0.83 CYP1A2 (0.48) KMT2AALDH1A1MEN1CYP1A2CYP2C9
SCHEMBL10831151 0.82 PRMT5 (0.45) KMT2AALDH1A1MEN1CYP1A2CYP2C9
SCHEMBL7420274 0.81 MAPT (0.51) KMT2ATDP1L3MBTL1LMNAKDM4E
SCHEMBL7420272 0.78 ALDH1A1 (0.45) KMT2AALDH1A1MEN1CYP1A2CYP2C9
SCHEMBL28740518 0.77 CYP2D6 (0.55) KMT2AALDH1A1MEN1CYP1A2TDP1
SCHEMBL28033356 0.77 RAB9A (0.50) KMT2AALDH1A1L3MBTL1SMN1; SMN2RAB9A
SCHEMBL6958282 0.77 PTGIR (0.46) KMT2AALDH1A1MEN1CYP1A2CYP2C9
SCHEMBL4776765 0.76 MEN1 (0.52) KMT2AALDH1A1MEN1CYP1A2CYP2C9

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
CN-102558963-A Radiation curable ink capable of directly jetting ink on surface of ultraviolet light cured coating and preparation method thereof JANUS DONGGUAN PREC COMPONENTS 2012-07-11 CN claimed
CN-102558963-B Radiation curable ink capable of directly jetting ink on surface of ultraviolet light cured coating and preparation method thereof JANUS DONGGUAN PREC COMPONENTS 2013-10-23 CN disclosed
CN-102558963-A Radiation curable ink capable of directly jetting ink on surface of ultraviolet light cured coating and preparation method thereof JANUS DONGGUAN PREC COMPONENTS 2012-07-11 CN disclosed