SCHEMBL13767964

SCHEMBL13767964

CCOC(CCc1ccc(C)cc1)CSc1ccc(O)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.55
PPARA Q07869 1/20 0.38
IGF1R P08069 1/20 0.37
ALOX15 P16050 1/20 0.37
ESR1 P03372 2/20 0.35
ESR2 Q92731 1/20 0.35
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DAO P14920 2/20 0.31
BACE1 P56817 1/20 0.31
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31

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
SCHEMBL10225536 0.82 PPARD (0.81) PPARDPPARA
SCHEMBL13767911 0.81 PPARD (0.56) PPARDPPARA
SCHEMBL10226001 0.81 PPARD (0.56) PPARDPPARA
SCHEMBL7016420 0.74 PPARD (0.74) PPARDPPARA
SCHEMBL13767965 0.73 TDP1 (0.37) PPARDPPARAESR1TP53TDP1
SCHEMBL14355015 0.72 PPARD (0.75) PPARDPPARA
SCHEMBL13680152 0.71 PPARD (0.58) PPARDPPARAESR1
SCHEMBL13767992 0.70 PPARD (0.43) PPARDPPARA
SCHEMBL5404604 0.70 PPARD (0.60) PPARDPPARA
SCHEMBL7019616 0.70 PPARD (0.72) PPARDPPARA

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
EP-1667964-B1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS JANSSEN PHARMACEUTICA NV (BE) 2009-07-22 EP disclosed