SCHEMBL6576030

SCHEMBL6576030

CCCCCc1cc(Oc2ccccc2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.53
STAT3 P40763 1/20 0.45
TSHR P16473 2/20 0.44
TYR P14679 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX5 P09917 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CETP P11597 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
SCHEMBL9567255 0.91 TYR (0.53) LTA4HTSHRTYRMEN1TP53
SCHEMBL2412893 0.89 LTA4H (0.47) LTA4HALOX5
SCHEMBL6062066 0.88 TYR (0.59) LTA4HTSHRTYRMEN1TP53
SCHEMBL6061474 0.87 CYP3A4 (0.62) LTA4HTSHRTYRMEN1TP53
Ethylene Glycol SCHEMBL8027523 0.84 TYR (0.46) TSHRTYRMEN1TP53CYP3A4
Ethylene Glycol SCHEMBL8013191 0.84 TYR (0.46) TSHRTYRMEN1TP53CYP3A4
SCHEMBL6061193 0.83 TYR (0.60) LTA4HTSHRTYRMEN1TP53
SCHEMBL5208689 0.82 ALOX5 (0.47) LTA4HALOX5
SCHEMBL28981344 0.82 LTA4H (0.42) LTA4HTSHRTYRMEN1TP53
SCHEMBL27414383 0.82 LTA4H (0.53) LTA4HTYRMEN1TP53MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 WO disclosed