SCHEMBL5383052

SCHEMBL5383052

COC(=O)CCCCCCC(=O)NCCc1cc(-c2ccccc2)ccc1CC1SC(=O)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.40
CA2 P00918 1/20 0.40
F13A1 P00488 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MTNR1A P48039 5/20 0.37
MTNR1B P49286 4/20 0.37
PPARG P37231 2/20 0.37
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK10 P53779 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL5390720 0.84 FFAR1 (0.51) FFAR1KMT2APPARGALDH1A1CYP2C9
SCHEMBL5397270 0.84 FFAR1 (0.51) FFAR1KMT2APPARGALDH1A1CYP2C9
SCHEMBL5383045 0.83 FFAR1 (0.41) FFAR1CA2PPARGTDP1LTB4R
SCHEMBL1128669 0.74 FFAR1 (0.49) FFAR1CA2PPARGALDH1A1
SCHEMBL5392920 0.73 FFAR1 (0.48) FFAR1F13A1PPARGHPGDALDH1A1
SCHEMBL6986558 0.73 FFAR1 (0.41) FFAR1CA2PPARGTDP1
SCHEMBL6473789 0.72 FFAR1 (0.58) FFAR1PPARGALDH1A1L3MBTL1
SCHEMBL5760347 0.72 FFAR1 (0.47) FFAR1CA2PPARGALDH1A1
SCHEMBL5390713 0.71 FFAR1 (0.52) FFAR1PPARGCYP2C9
SCHEMBL5397263 0.71 FFAR1 (0.52) FFAR1PPARGCYP2C9

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
US-7294639-B2 Biaromatic ligand activators of PPARγ receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-11-13 US disclosed