SCHEMBL5334674

SCHEMBL5334674

CC(c1ccccc1)c1cc(OCC[O])cc(C(C)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.38
SCN1A P35498 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN3A Q9NY46 2/20 0.38
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
PTGS1 P23219 1/20 0.37
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.36
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36
KCNA3 P22001 1/20 0.35
DAO P14920 1/20 0.35

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
SCHEMBL13875587 0.78 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL4648371 0.75 TYR (0.48) KDM4ELMNATSHRDAO
SCHEMBL11293403 0.72 LTA4H (0.54) KDM4EALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL57755 0.71 KCNA3 (0.67) ALDH1A1SMN1; SMN2KCNA3
SCHEMBL1921779 0.71 TAAR1 (0.48) KDM4EALDH1A1LMNATSHR
SCHEMBL11398112 0.70 LTA4H (0.61) PSMB1PSMB5KCNA3
SCHEMBL17861696 0.69 GPR88 (0.48) ALDH1A1GAAPSMB1PSMB5KCNA3
SCHEMBL9483957 0.69 PSMB1 (0.47) ALDH1A1HPGDGAAPSMB1PSMB5
SCHEMBL8408712 0.69 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HPGDGAAPSMB1
SCHEMBL12251553 0.69 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2LMNATSHR

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
WO-2007051403-A1 AN EDGE BEAD REMOVER COMPOSITION BYD COMPANY LIMITED (CN) 2007-05-10 WO disclosed