SCHEMBL30815971

SCHEMBL30815971

COc1ccc2c(c1F)CC(C)CC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
KLK7 P49862 1/20 0.38
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPRF P10586 1/20 0.36
ADRA1A P35348 1/20 0.36
POLL Q9UGP5 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 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
SCHEMBL22829411 1.00 ACHE (0.44) ACHEKDM4EALDH1A1HPGDKLK7
SCHEMBL1699532 0.79 ACHE (0.63) ACHEKDM4EALDH1A1HPGDCYP19A1
SCHEMBL23857698 0.77 KDM4E (0.67) ACHEKDM4EALDH1A1HPGDGLA
SCHEMBL8470734 0.76 KDM4E (0.45) ACHEKDM4EALDH1A1HPGDGLA
SCHEMBL8470376 0.74 KDM4E (0.46) ACHEKDM4EALDH1A1HPGDGLA
SCHEMBL6119284 0.74 ALDH1A1 (0.54) ACHEKDM4EALDH1A1HPGDGLA
SCHEMBL29840331 0.74 ALDH1A1 (0.54) ACHEKDM4EALDH1A1HPGDGLA
SCHEMBL23335828 0.74 ALDH1A1 (0.54) ACHEKDM4EALDH1A1HPGDGLA
SCHEMBL14053635 0.74 KDM4E (0.54) ACHEKDM4EALDH1A1HPGDGLA
SCHEMBL10982867 0.73 ACHE (0.62) ACHEKDM4EALDH1A1HPGDGLA

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-111757869-B Compounds having S1P5 receptor agonistic activity 小野药品工业株式会社 2024-03-08 CN disclosed