SCHEMBL27430337

SCHEMBL27430337

C[C](O)Oc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HSD17B10 Q99714 3/20 0.58
PGR P06401 1/20 0.58
GAA P10253 1/20 0.58
PTGS1 P23219 1/20 0.58
MAPK1 P28482 1/20 0.58
KDM4E B2RXH2 3/20 0.51
KMT2A Q03164 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HPGD P15428 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
FABP7 O15540 4/20 0.47
FABP3 P05413 4/20 0.47
FABP5 Q01469 4/20 0.47
KCNA3 P22001 1/20 0.46
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
MMP2 P08253 1/20 0.45

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
SCHEMBL8540307 0.85 ALDH1A1 (0.59) ALDH1A1HSD17B10PGRGAAPTGS1
Alpha-Naphthylacetate SCHEMBL28346504 0.82 ALDH1A1 (0.62) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL15759427 0.82 ALDH1A1 (0.56) ALDH1A1HSD17B10PGRGAAPTGS1
Alpha-Naphthylacetate SCHEMBL76633 0.82 ALDH1A1 (0.66) ALDH1A1HSD17B10PGRGAAPTGS1
Alpha-Naphthylacetate SCHEMBL29372782 0.82 ALDH1A1 (0.66) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL6884394 0.81 ALDH1A1 (0.55) ALDH1A1HSD17B10PGRGAAPTGS1
Alpha-Naphthylacetate SCHEMBL14715880 0.80 ALDH1A1 (0.64) ALDH1A1HSD17B10PGRGAAPTGS1
Alpha-Naphthylacetate SCHEMBL11320989 0.80 ALDH1A1 (0.64) ALDH1A1HSD17B10PGRGAAPTGS1
Alpha-Naphthylacetate SCHEMBL15903555 0.80 ALDH1A1 (0.64) ALDH1A1HSD17B10PGRGAAPTGS1
Alpha-Naphthylacetate SCHEMBL10751544 0.80 ALDH1A1 (0.64) ALDH1A1HSD17B10PGRGAAPTGS1

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-1092059-A Substituted benzoic acid HOFFMANN LA ROCHE (CH) 1994-09-14 CN disclosed