SCHEMBL28645015

SCHEMBL28645015

COC(=O)/C=C\CCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
PPARG P37231 4/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP19A1 P11511 2/20 0.45
FFAR1 O14842 1/20 0.45
RXRA P19793 1/20 0.45
OXER1 Q8TDS5 1/20 0.45
AKT1 P31749 1/20 0.42
TSHR P16473 1/20 0.40
EPHX2 P34913 1/20 0.40
PPARA Q07869 3/20 0.38
GFPT1 Q06210 1/20 0.37
HSD17B10 Q99714 3/20 0.36
ALOX15 P16050 2/20 0.36
RECQL P46063 2/20 0.36
TERT O14746 3/20 0.35
BLM P54132 2/20 0.35

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
SCHEMBL10534314 1.00 HCAR2 (0.50) HCAR2KEAP1NFE2L2PPARGMAPT
SCHEMBL46377 1.00 HCAR2 (0.50) HCAR2KEAP1NFE2L2PPARGMAPT
SCHEMBL17334530 0.88 PPARG (0.48) HCAR2KEAP1NFE2L2PPARGMAPT
SCHEMBL28549553 0.84 PPARG (0.57) PPARGMAPTALDH1A1CYP19A1OXER1
SCHEMBL3017777 0.84 PPARG (0.57) PPARGMAPTALDH1A1CYP19A1OXER1
SCHEMBL11745554 0.84 PPARG (0.57) PPARGMAPTALDH1A1CYP19A1OXER1
SCHEMBL810920 0.83 AKT1 (0.54) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL28152408 0.83 AKT1 (0.54) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL810921 0.83 AKT1 (0.54) HCAR2KEAP1NFE2L2MAPTALDH1A1
SCHEMBL21802620 0.82 PPARG (0.43) PPARGMAPTALDH1A1CYP19A1FFAR1

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-113498409-A Process for producing alpha, beta-unsaturated dicarboxylic acid ester 东丽株式会社 2021-10-12 CN disclosed