SCHEMBL876502

SCHEMBL876502

OCc1ccc(Oc2ccccc2C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
AR P10275 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
PPARG P37231 2/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
KIF11 P52732 1/20 0.41
S1PR1 P21453 3/20 0.40
CYP3A4 P08684 1/20 0.39
ESRRA P11474 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
STK39 Q9UEW8 1/20 0.39
LTA4H P09960 1/20 0.38
PTGS2 P35354 1/20 0.38
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38

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
SCHEMBL3900976 0.86 TTR (0.64) TTRARKIF11LPAR1LPAR5
SCHEMBL1685381 0.78 LTA4H (0.46) RXRARXRBRXRGMRGPRX4PPARG
SCHEMBL79041 0.78 RXRA (0.56) RXRARXRBRXRGMRGPRX4S1PR1
SCHEMBL1437536 0.78 S1PR1 (0.58) RXRARXRBRXRGARKIF11
SCHEMBL31435356 0.78 S1PR1 (0.58) RXRARXRBRXRGARKIF11
SCHEMBL883499 0.78 EPAS1 (0.49) TTRRXRARXRBRXRGAR
SCHEMBL9889486 0.77 AR (0.48) TTRARCYP3A4NR1H2NR1H3
SCHEMBL2020809 0.77 S1PR1 (0.47) RXRARXRBRXRGARMRGPRX4
SCHEMBL10088933 0.77 S1PR1 (0.44) RXRARXRBRXRGARMRGPRX4
SCHEMBL11048002 0.76 LTA4H (0.45) RXRARXRBRXRGARMRGPRX4

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-2619203-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES Glaxo Group Limited (GB) 2013-07-31 EP disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed