SCHEMBL28414746

SCHEMBL28414746

CC(C)CCCCCC1CCC(CCCCCC(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
SIGMAR1 Q99720 3/20 0.39
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.36
TP53 P04637 1/20 0.36
LSS P48449 2/20 0.32
KDM5A P29375 1/20 0.32
KDM7A Q6ZMT4 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GBA1 P04062 1/20 0.31
MAPK1 P28482 1/20 0.31
SPHK2 Q9NRA0 1/20 0.30
SPHK1 Q9NYA1 1/20 0.30

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
SCHEMBL22965405 0.91 SIGMAR1 (0.50) LMNASIGMAR1CYP1A2KDM5AKDM4C
SCHEMBL9763143 0.91 SIGMAR1 (0.50) LMNASIGMAR1CYP1A2KDM5AKDM4C
SCHEMBL876348 0.90
SCHEMBL3892828 0.89 SIGMAR1 (0.54) LMNASIGMAR1CYP1A2
SCHEMBL20993964 0.89 SIGMAR1 (0.54) LMNASIGMAR1CYP1A2
SCHEMBL3632645 0.89 SIGMAR1 (0.54) LMNASIGMAR1CYP1A2
SCHEMBL2999460 0.89 SIGMAR1 (0.54) LMNASIGMAR1CYP1A2
SCHEMBL6939636 0.89 SIGMAR1 (0.54) LMNASIGMAR1CYP1A2
SCHEMBL2985830 0.89 SIGMAR1 (0.54) LMNASIGMAR1CYP1A2
SCHEMBL12110884 0.88 CYP1A2 (0.50) LMNASIGMAR1CYP1A2

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
CN-111269119-B Hydrogenation method for improving yield of cyclohexane-1, 4-dioctyl phthalate 南亚塑胶工业股份有限公司 2022-06-28 CN disclosed
CN-111269119-A Hydrogenation method for improving yield of cyclohexane-1, 4-dioctyl phthalate 南亚塑胶工业股份有限公司 2020-06-12 CN disclosed