SCHEMBL29237341

SCHEMBL29237341

CC(=O)C=Cc1cccc(CCC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KEAP1 Q14145 1/20 0.49
PTPRB P23467 1/20 0.48
CDC25A P30304 1/20 0.48
CDC25B P30305 1/20 0.48
PTEN P60484 1/20 0.48
PTPMT1 Q8WUK0 1/20 0.48
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
FFAR1 O14842 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
IAPP P10997 1/20 0.45
PTGS1 P23219 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
AKR1C3 P42330 5/20 0.44
AKR1C2 P52895 3/20 0.44
FFAR4 Q5NUL3 1/20 0.44

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
SCHEMBL30967790 1.00 GLA (0.54) GLATDP1KEAP1PTPRBCDC25A
SCHEMBL29237336 1.00 GLA (0.54) GLATDP1KEAP1PTPRBCDC25A
SCHEMBL29237253 0.84 CYP4F2 (0.56) GLATDP1AKR1C3AKR1C2CYP4F2
SCHEMBL30217209 0.84 CYP4F2 (0.56) GLATDP1AKR1C3AKR1C2CYP4F2
SCHEMBL29237252 0.84 CYP4F2 (0.56) GLATDP1AKR1C3AKR1C2CYP4F2
SCHEMBL3627230 0.84 KEAP1 (0.60) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL9633674 0.81 KEAP1 (0.52) KEAP1PTPRBCDC25ACDC25BPTEN
SCHEMBL27455902 0.81 AKR1C3 (0.58) ALDH1A1KDM4EPKMSMN1; SMN2AKR1C3
SCHEMBL27832673 0.81 GLA (0.56) GLATDP1LTB4RLTB4R2ALDH1A1
SCHEMBL6254480 0.80 KEAP1 (0.55) KEAP1PTPRBCDC25ACDC25BPTEN

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-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 CN disclosed