SCHEMBL6237882

SCHEMBL6237882

Cc1[c]c(OCc2oc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.57
PPARG P37231 5/20 0.57
PPARA Q07869 4/20 0.53
PTPN1 P18031 2/20 0.39
FFAR1 O14842 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
VDR P11473 6/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ESR1 P03372 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
RXRA P19793 1/20 0.37
ESR2 Q92731 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6617882 0.79 PPARD (0.38) PPARDPPARGPPARAPTPN1NPSR1
SCHEMBL6237739 0.76 PPARD (0.56) PPARDPPARGPPARAFFAR1
SCHEMBL4747275 0.75 PPARD (0.59) PPARDPPARGPPARAFFAR1NPSR1
SCHEMBL28781448 0.74 PPARD (0.60) PPARDPPARGPPARAPTPN1FFAR1
SCHEMBL12151275 0.74 PPARD (0.56) PPARDPPARGPPARAPTPN1NPSR1
SCHEMBL5441273 0.73 MEN1 (0.37) NPSR1RAB9ASMN1; SMN2KDM4ETHRB
SCHEMBL2245562 0.73 PPARD (0.55) PPARDPPARGPPARAPTPN1NPSR1
SCHEMBL4414115 0.73 PPARD (0.55) PPARDPPARGPPARAPTPN1NPSR1
SCHEMBL4467452 0.73 PPARD (0.58) PPARDPPARGPPARAPTPN1KDM4E
SCHEMBL6236889 0.72 PPARD (1.00) PPARDPPARGPPARAPTPN1FFAR1

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-1189895-B1 THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2005-06-08 EP claimed