SCHEMBL28041575

SCHEMBL28041575

CC(C)=COCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.52
NR1H2 P55055 1/20 0.47
BAX Q07812 1/20 0.47
PPARG P37231 1/20 0.46
FFAR1 O14842 3/20 0.45
FFAR4 Q5NUL3 1/20 0.45
SRD5A2 P31213 3/20 0.44
TSHR P16473 1/20 0.41
MMP2 P08253 1/20 0.40
MAPK14 Q16539 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
SCHEMBL1071379 0.85 ALDH1A1 (0.50) TSHR
SCHEMBL9813951 0.80 LTA4H (0.52) LTA4HNR1H2BAXPPARGFFAR1
SCHEMBL17157130 0.79 LTA4H (0.47) LTA4HNR1H2BAXPPARGFFAR1
SCHEMBL11506283 0.77 LTA4H (0.52) LTA4HNR1H2BAXPPARGFFAR1
SCHEMBL13167017 0.76 LTA4H (0.50) LTA4HNR1H2BAXSRD5A2TSHR
SCHEMBL8024062 0.74 ALDH1A1 (0.72) LTA4HNR1H2BAXPPARGFFAR1
SCHEMBL2088942 0.74 LTA4H (0.58) LTA4HNR1H2BAXPPARGFFAR1
SCHEMBL8994543 0.73 TSHR (0.64) LTA4HNR1H2BAXPPARGFFAR1
SCHEMBL9252738 0.72 LTA4H (0.61) LTA4HNR1H2BAXFFAR1SRD5A2
SCHEMBL891493 0.71 FFAR1 (0.69) LTA4HPPARGFFAR1FFAR4

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-105008344-A Bruton's tyrosine kinase inhibitors PFIZER 2015-10-28 CN disclosed