SCHEMBL883737

SCHEMBL883737

Cc1cc(Oc2cccc(C(F)(F)F)c2)ccc1CO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.50
PPARD Q03181 4/20 0.50
PPARA Q07869 4/20 0.50
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LTA4H P09960 1/20 0.45
F10 P00742 1/20 0.44
MAPK14 Q16539 1/20 0.43
MAOB P27338 1/20 0.43
AOC3 Q16853 1/20 0.43
PRKD3 O94806 1/20 0.43
S1PR1 P21453 1/20 0.43
CDK7 P50613 1/20 0.43
JAK3 P52333 1/20 0.43
TNK2 Q07912 1/20 0.43
S1PR5 Q9H228 1/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
MAPT P10636 2/20 0.42

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
SCHEMBL876364 0.85 LTA4H (0.47) PPARGPPARAKDM4EALDH1A1SMN1; SMN2
SCHEMBL876543 0.83 TLR8 (0.48) PPARGKDM4EALDH1A1SMN1; SMN2LTA4H
SCHEMBL16199417 0.83 LTA4H (0.45) PPARGPPARDPPARAKDM4EALDH1A1
SCHEMBL21701049 0.82 ALDH1A1 (0.49) KDM4EALDH1A1LTA4HF10MAPT
SCHEMBL875891 0.81 CYP1A2 (0.48) KDM4ESMN1; SMN2LTA4HMAPK14MAOB
SCHEMBL6499332 0.80 MAPT (0.44) PPARGPPARDPPARAKDM4EALDH1A1
SCHEMBL19427261 0.80 LTA4H (0.53) LTA4HNR1H2MEN1KMT2A
SCHEMBL5112247 0.79 DAO (0.46) S1PR1KIF11
SCHEMBL875576 0.79 LTA4H (0.58) PPARGPPARAALDH1A1SMN1; SMN2LTA4H
SCHEMBL24155484 0.78 MAPT (0.50) KDM4EALDH1A1LTA4HF10MAOB

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
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed