SCHEMBL27733769

SCHEMBL27733769

CC(C(=O)O)c1cc2ccc(C(F)(F)F)cc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.48
PPARA Q07869 6/20 0.48
NPSR1 Q6W5P4 1/20 0.45
RORC P51449 4/20 0.42
S1PR1 P21453 1/20 0.41
RECQL P46063 1/20 0.41
NOD1 Q9Y239 1/20 0.40
PPARD Q03181 5/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 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
SCHEMBL27733789 0.91 PPARG (0.59) PPARGPPARANPSR1S1PR1RECQL
SCHEMBL27713297 0.84 PPARG (0.50) PPARGPPARANPSR1NOD1PPARD
SCHEMBL27733700 0.82 RECQL (0.56) PPARGPPARARECQLNOD1PPARD
SCHEMBL27713308 0.77 PPARG (0.40) PPARGPPARARECQLPPARDPTGDR2
SCHEMBL27733713 0.76 PPARG (0.46) PPARGPPARARECQLNOD1PPARD
SCHEMBL3527611 0.76 PPARG (0.73) PPARGPPARARORCPPARD
SCHEMBL27713335 0.76 PPARG (0.58) PPARGPPARARECQLNOD1PPARD
SCHEMBL30629080 0.75 PPARG (0.56) PPARGPPARARORCS1PR1NOD1
SCHEMBL27713493 0.75 PPARG (0.43) PPARGPPARARECQLPPARDMAPT
SCHEMBL27733864 0.75 PPARG (0.59) PPARGPPARARECQLNOD1PPARD

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
CN-101248044-B Indole compounds FOURNIER LAB SA 2012-05-30 CN disclosed
CN-101248044-A Novel indole compounds FOURNIER LAB SA (FR) 2008-08-20 CN disclosed