SCHEMBL8711529

SCHEMBL8711529

CCN(CC)CCCCCCCCCCC1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.66
CYP1A2 P05177 1/20 0.54
LSS P48449 1/20 0.43
KDM5A P29375 3/20 0.41
PHF8 Q9UPP1 3/20 0.41
KDM2A Q9Y2K7 3/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM4A O75164 1/20 0.41
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
BCHE P06276 3/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL8855135 1.00 SIGMAR1 (0.66) SIGMAR1CYP1A2LSSKDM5APHF8
Hydrochloric Acid SCHEMBL9520541 0.98 SIGMAR1 (0.63) SIGMAR1CYP1A2LSSKDM5APHF8
Water SCHEMBL9246810 0.98 SIGMAR1 (0.63) SIGMAR1CYP1A2LSSKDM5APHF8
Hydrochloric Acid SCHEMBL9518737 0.98 SIGMAR1 (0.63) SIGMAR1CYP1A2LSSKDM5APHF8
Hydrochloric Acid SCHEMBL9516763 0.98 SIGMAR1 (0.63) SIGMAR1CYP1A2LSSKDM5APHF8
Water SCHEMBL9249103 0.98 SIGMAR1 (0.63) SIGMAR1CYP1A2LSSKDM5APHF8
Water SCHEMBL9249880 0.98 SIGMAR1 (0.63) SIGMAR1CYP1A2LSSKDM5APHF8
Water SCHEMBL9248198 0.98 SIGMAR1 (0.63) SIGMAR1CYP1A2LSSKDM5APHF8
Water SCHEMBL9246924 0.98 SIGMAR1 (0.63) SIGMAR1CYP1A2LSSKDM5APHF8
Hydrochloric Acid SCHEMBL9516659 0.98 SIGMAR1 (0.63) SIGMAR1CYP1A2LSSKDM5APHF8

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
EP-0374258-B1 HIGH REFRACTIVE INDEX LENS AND METHOD FOR ITS PRODUCTION MITSUI CHEMICALS INC (JP) 1998-08-12 EP claimed