SCHEMBL28528856

SCHEMBL28528856

CCCCc1cccc(C(=O)OOC(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP4F2 P78329 3/20 0.53
CYP4A11 Q02928 3/20 0.53
PPARA Q07869 6/20 0.46
PPARG P37231 5/20 0.46
SLC7A5 Q01650 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
MDH1 P40925 1/20 0.42
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40

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
SCHEMBL29233053 0.88 CYP4F2 (0.61) CYP4F2CYP4A11PPARAPPARGLOXL2
SCHEMBL25961093 0.86 SLC7A5 (0.58) CYP4F2CYP4A11PPARAPPARGSLC7A5
SCHEMBL27960544 0.84 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10TDP1CYP4F2
SCHEMBL27960526 0.84 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10TDP1CYP4F2
SCHEMBL28399629 0.82 CYP4F2 (0.61) CYP4F2CYP4A11PPARAPPARGLOXL2
SCHEMBL27796426 0.81 LOXL2 (0.65) ALDH1A1TSHRHSD17B10TDP1CYP4F2
SCHEMBL27543607 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHSD17B10TDP1CYP4F2
SCHEMBL27775507 0.81 ALDH1A1 (0.58) ALDH1A1TSHRHSD17B10TDP1CYP4F2
SCHEMBL1792728 0.81 CYP4A11 (0.75) ALDH1A1CYP4F2CYP4A11SLC7A5LOXL2
SCHEMBL8927851 0.81 CYP4F2 (0.60) CYP4F2CYP4A11PPARAPPARGLOXL2

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-116547317-A Method for producing perfluoroelastomer aqueous dispersion, composition, crosslinkable composition, and crosslinked product 大金工业株式会社 2023-08-04 CN disclosed
CN-112470318-A Electrolyte composition, electrolyte membrane, and method for producing electrolyte membrane 株式会社日本触媒 2021-03-09 CN disclosed