SCHEMBL4603986

SCHEMBL4603986

O=c1[nH]c(-c2ccc(OCc3sc(-c4ccc(C(F)(F)F)cc4)nc3CN3CCC(C(F)(F)F)CC3)cc2OC(F)C(F)F)no1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.35
CTSS P25774 10/20 0.35
FFAR1 O14842 4/20 0.35
PPARG P37231 4/20 0.35
PPARA Q07869 4/20 0.33
CHRM5 P08912 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL3769557 0.95 PPARD (0.36) PPARDCTSSFFAR1PPARGPPARA
SCHEMBL3772413 0.93 PPARD (0.37) PPARDCTSSFFAR1PPARGPPARA
SCHEMBL3768480 0.91 STAT3 (0.37) PPARDCTSSFFAR1PPARGPPARA
SCHEMBL3766706 0.91 CTSS (0.39) PPARDCTSSFFAR1PPARGPPARA
SCHEMBL3769069 0.90 PPARD (0.36) PPARDCTSSFFAR1PPARGPPARA
SCHEMBL3769895 0.89 PPARD (0.40) PPARDCTSSFFAR1PPARGPPARA
SCHEMBL3771432 0.87 PPARD (0.37) PPARDCTSSFFAR1PPARGPPARA
SCHEMBL3774683 0.86 CTSS (0.36) PPARDCTSSFFAR1
SCHEMBL3775200 0.85 CTSS (0.40) PPARDCTSSFFAR1PPARGPPARA
SCHEMBL3773141 0.84 CTSS (0.39) PPARDCTSSFFAR1PPARGPPARA

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-1934206-A1 PHENYL- AND PYRIDYL-I, 2 , 4 -OXADIAZOLONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-06-25 EP disclosed
WO-2007039172-A1 PHENYL- AND PYRIDYL-I, 2 , 4 -OXADIAZOLONE DERIVATIVES WITH PHENYL GROUP, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed