SCHEMBL5164950

SCHEMBL5164950

CCCCc1c(C)c(CCCC)c(CCCC)c(S(=O)(=O)O)c1CCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 3/20 0.37
PKM P14618 2/20 0.37
CA2 P00918 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 2/20 0.33
METAP2 P50579 1/20 0.33
FFAR1 O14842 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
Phosphine SCHEMBL28442248 0.98 HPGD (0.38) HPGDHTTNPC1MAPK1RAB9A
Ammonia Solution, Strong SCHEMBL27570179 0.98 HPGD (0.38) HPGDHTTNPC1MAPK1RAB9A
SCHEMBL28580437 0.94 TYR (0.39) HPGDHTTNPC1MAPK1RAB9A
Ammonia Solution, Strong SCHEMBL28018848 0.89 HTT (0.35) HPGDHTTNPC1MAPK1RAB9A
Ammonia Solution, Strong SCHEMBL28161366 0.88 TSHR (0.33) RAB9ACA2ALDH1A1HSD17B10TSHR
SCHEMBL11508708 0.87 CA2 (0.41) HPGDMAPK1KDM4ECA2ALDH1A1
SCHEMBL29666514 0.86 S1PR2 (0.40) HPGDHTTNPC1MAPK1RAB9A
SCHEMBL28614022 0.86 S1PR2 (0.40) HPGDHTTNPC1MAPK1RAB9A
SCHEMBL28412851 0.86 S1PR2 (0.40) HPGDHTTNPC1MAPK1RAB9A
SCHEMBL149531 0.83 S1PR2 (0.41) HPGDMAPK1KDM4EALDH1A1HSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117364185-A Inhibitor and preparation method and application thereof 上海天承化学有限公司 2024-01-09 CN claimed
CN-118877957-B Modified positive electrode material, preparation method thereof and secondary battery 浙江帕瓦新能源股份有限公司 2025-01-24 CN disclosed
CN-118877957-A Modified positive electrode material, preparation method thereof and secondary battery 浙江帕瓦新能源股份有限公司 2024-11-01 CN disclosed
US-20070076072-A1 Ink composition for ink jet recording and method for producing planographic printing plate using the same FUJI PHOTO FILM CO., LTD. 2007-04-05 US disclosed
EP-1770131-A1 Ink composition for ink jet recording and method for producing planographic printing plate using the same FUJIFILM Corporation (JP) 2007-04-04 EP disclosed