SCHEMBL11465749

SCHEMBL11465749

CCC(C)(Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.54
PPARA Q07869 7/20 0.50
PPARG P37231 5/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
TTR P02766 2/20 0.49
ADORA3 P0DMS8 1/20 0.47
PPARD Q03181 2/20 0.47
OPRK1 P41145 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
FABP2 P12104 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL30490487 0.86 TDP1 (0.50) PPARAPPARGMRGPRX4TTRCYP1A2
SCHEMBL987343 0.84 PPARA (0.67) FFAR1PPARAPPARGMRGPRX4TTR
SCHEMBL3500736 0.83 PPARA (0.68) PPARAPPARGADORA3PPARDOPRK1
SCHEMBL11548490 0.80 ADORA3 (0.61) PPARAPPARGADORA3OPRK1MEN1
2,4-Dichlorophenoxyacetic Acid SCHEMBL9376023 0.78 TDP1 (0.63) FFAR1PPARAPPARGPPARDMEN1
SCHEMBL9385278 0.78 FFAR1 (0.50) FFAR1MRGPRX4TTRADORA3MEN1
SCHEMBL11073216 0.77 OPRK1 (0.73) PPARAPPARGADORA3PPARDOPRK1
SCHEMBL21056074 0.77 TSHR (0.49) PPARAPPARGMRGPRX4PPARDOPRK1
SCHEMBL10942708 0.76 PPARG (0.44) PPARAPPARGADORA3OPRK1MEN1
SCHEMBL28275130 0.76 MRGPRX4 (0.70) FFAR1MRGPRX4TTR

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
US-4231787-A 4-(TRIFLUOROMETHYLPHENOXY)PHENOXY-PROPANOLS OR ESTERS ISHIHARA SANGYO KAISHA LTD. (JP) 1980-11-04 US disclosed
US-4105435-A 4-(3,5-DIHALO- OR 5-HALOPYRIDYL-2-OXY)PHENOXY PROPANES ISHIHARA SANGYO KAISHA LTD. (JP) 1978-08-08 US disclosed