SCHEMBL29097672

SCHEMBL29097672

CCCCc1ccccc1-c1c(CCCC)c(O)cc(CCCC)c1CCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GCGR P47871 3/20 0.43
TYR P14679 3/20 0.42
ELANE P08246 3/20 0.41
CTSG P08311 3/20 0.41
SLC37A4 O43826 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
LIPG Q9Y5X9 1/20 0.38
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX5 P09917 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 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
SCHEMBL2654020 0.78 TYR (0.45) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL11098791 0.77 ELANE (0.42) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL29000464 0.76 ELANE (0.47) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL28357289 0.76 ELANE (0.54) TYRELANECTSGSLC37A4LIPG
SCHEMBL760579 0.76 ELANE (0.47) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL10985995 0.76 GCGR (0.45) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL548498 0.75 ELANE (0.48) TYRELANECTSGLIPGCYP3A4
SCHEMBL30212610 0.75 ELANE (0.48) TYRELANECTSGLIPGCYP3A4
SCHEMBL8674994 0.75 LIPG (0.42) ELANECTSGLIPGCYP3A4ALOX5
SCHEMBL324415 0.75 ELANE (0.46) HTTNPC1HPGDMAPK1RAB9A

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
CN-116970107-A Catalyst combination and method for preparing poly alpha-olefin synthetic oil by using same 万华化学集团股份有限公司 2023-10-31 CN claimed