SCHEMBL29237253

SCHEMBL29237253

COC(=O)CCc1cccc(C=CC(C)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.56
CYP4A11 Q02928 1/20 0.56
AKR1C3 P42330 16/20 0.50
AKR1C2 P52895 5/20 0.47
GLA P06280 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AKR1C4 P17516 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
FDPS P14324 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
SCHEMBL30217209 1.00 CYP4F2 (0.56) CYP4F2CYP4A11AKR1C3AKR1C2GLA
SCHEMBL29237252 1.00 CYP4F2 (0.56) CYP4F2CYP4A11AKR1C3AKR1C2GLA
SCHEMBL10590466 0.86 CYP4F2 (0.59) CYP4F2CYP4A11AKR1C3TDP1SIRT2
SCHEMBL30967790 0.84 GLA (0.54) CYP4F2CYP4A11AKR1C3AKR1C2GLA
SCHEMBL29237341 0.84 GLA (0.54) CYP4F2CYP4A11AKR1C3AKR1C2GLA
SCHEMBL29237336 0.84 GLA (0.54) CYP4F2CYP4A11AKR1C3AKR1C2GLA
SCHEMBL698078 0.82 CYP4F2 (0.55) CYP4F2CYP4A11AKR1C3TDP1SIRT2
SCHEMBL30217311 0.82 CYP4F2 (0.58) CYP4F2CYP4A11AKR1C3AKR1C2TDP1
SCHEMBL29237442 0.82 CYP4F2 (0.58) CYP4F2CYP4A11AKR1C3AKR1C2TDP1
SCHEMBL29237445 0.82 CYP4F2 (0.58) CYP4F2CYP4A11AKR1C3AKR1C2TDP1

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