SCHEMBL29136592

SCHEMBL29136592

CC(=Cc1ccccc1)C(=O)OOc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.56
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
DHODH Q02127 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
RECQL P46063 1/20 0.41
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
FBP1 P09467 1/20 0.40
F2 P00734 1/20 0.39
GAA P10253 1/20 0.39
STAT1 P42224 1/20 0.39
GLA P06280 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL28489502 0.87 AKR1C3 (0.67) AKR1C3MEN1KMT2AHTTALDH1A1
SCHEMBL7259561 0.84 MEN1 (0.53) AKR1C3MEN1KMT2AHTTALDH1A1
SCHEMBL27848450 0.82 AKR1C3 (0.60) AKR1C3MEN1KMT2AHTTALDH1A1
SCHEMBL17447210 0.82 AKR1C3 (0.60) AKR1C3MEN1KMT2AHTTALDH1A1
SCHEMBL796705 0.82 AKR1C3 (0.60) AKR1C3MEN1KMT2AHTTALDH1A1
SCHEMBL10386002 0.81 AKR1C3 (0.58) AKR1C3MEN1KMT2AHTTALDH1A1
SCHEMBL7259563 0.79 MEN1 (0.49) AKR1C3MEN1KMT2AHTTALDH1A1
SCHEMBL12276505 0.78 AKR1C3 (0.64) AKR1C3MEN1KMT2AHTTALDH1A1
SCHEMBL464969 0.78 AKR1C3 (0.64) AKR1C3MEN1KMT2AHTTALDH1A1
SCHEMBL522434 0.78 AKR1C3 (0.64) AKR1C3MEN1KMT2AHTTALDH1A1

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-117363124-A Coating liquid composition for display and organic coating film using the same 株式会社特雷尔 2024-01-09 CN disclosed