SCHEMBL10434831

SCHEMBL10434831

CCC(c1cccc(OCc2ccc3ccccc3c2)c1)C(O)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.54
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
MEN1 O00255 1/20 0.43
GMNN O75496 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MTOR P42345 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL10434840 0.88 ALOX5 (0.56) ALOX5
SCHEMBL9577510 0.77 ALOX5 (0.60) ALOX5MAPK1TP53CYP1A2CYP3A4
SCHEMBL10656521 0.77 ALOX5 (0.69) ALOX5MAPK1TP53CYP1A2CYP3A4
SCHEMBL9577523 0.75 ALOX5 (0.58) ALOX5MAPK1TP53CYP1A2CYP3A4
SCHEMBL9577539 0.74 ALOX5 (0.54) ALOX5MAPK1TP53CYP1A2CYP3A4
SCHEMBL9688759 0.73 ALOX5 (0.51) ALOX5CYSLTR2CYSLTR1
SCHEMBL9598079 0.73 ALOX5 (0.56) ALOX5MAPK1TP53CYP1A2CYP3A4
SCHEMBL10434833 0.73 ALOX5 (0.53) ALOX5F2
SCHEMBL9150430 0.72 ALOX5 (0.55) ALOX5MAPK1TP53CYP1A2CYP3A4
SCHEMBL10434841 0.72 ALOX5 (0.53) ALOX5

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
EP-0375368-A2 Alcohol and ether derivatives ZENECA LIMITED (GB) 1990-06-27 EP disclosed