SCHEMBL11229698

SCHEMBL11229698

Cc1cc(Cl)ccc1OC/C=C/CCl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.46
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HIF1A Q16665 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42

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
SCHEMBL10144037 0.79 KDM4E (0.50) SCN4ACYP1A2CYP2C9KDM4EHIF1A
SCHEMBL29863367 0.79 KDM4E (0.50) SCN4ACYP1A2CYP2C9KDM4EHIF1A
SCHEMBL13777342 0.79 TSHR (0.58) SCN4ACYP1A2CYP2C9KDM4EHIF1A
SCHEMBL11666766 0.78 KDM4E (0.50) CYP1A2CYP2C9KDM4EHIF1ATP53
SCHEMBL11383131 0.78 SCN4A (0.53) SCN4ACYP1A2CYP2C9KDM4EHIF1A
SCHEMBL11284621 0.78 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11284628 0.78 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL22135588 0.74 KDM4E (0.64) SCN4ACYP1A2CYP2C9KDM4EHIF1A
SCHEMBL254428 0.74 HPGD (0.53) SCN4ACYP1A2CYP2C9KDM4EHIF1A
SCHEMBL9665251 0.73 SCN4A (0.51) SCN4ACYP1A2CYP2C9KDM4EHIF1A

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
US-4358309-A NONPHYTOTOXIC CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1982-11-09 US disclosed