SCHEMBL5044159

SCHEMBL5044159

CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(C[C@H](NCc3ccc(C(=O)O)cc3)C(=O)O)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 3/20 0.42
ITGB3 P05106 3/20 0.42
ITGAV P06756 3/20 0.42
RARB P10826 5/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RARA P10276 1/20 0.40
MAPT P10636 1/20 0.40
MTOR P42345 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGS2 P35354 1/20 0.40
LTB4R2 Q9NPC1 3/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL5044163 1.00 TLR2 (0.42) TLR2ITGB3ITGAVRARBMEN1
SCHEMBL3439263 0.94 TLR2 (0.48) TLR2ITGB3ITGAVPTGS2
SCHEMBL3439264 0.94 TLR2 (0.48) TLR2ITGB3ITGAVPTGS2
SCHEMBL3439075 0.93 ITGB3 (0.48) TLR2ITGB3ITGAVPTGS2LTB4R2
SCHEMBL3439074 0.93 ITGB3 (0.48) TLR2ITGB3ITGAVPTGS2LTB4R2
SCHEMBL3439066 0.92 TLR2 (0.43) TLR2ITGB3ITGAVPTGS2
SCHEMBL3439065 0.92 TLR2 (0.43) TLR2ITGB3ITGAVPTGS2
SCHEMBL3439259 0.91 TLR2 (0.42) TLR2ITGB3ITGAVPTGS2
SCHEMBL3439258 0.91 TLR2 (0.42) TLR2ITGB3ITGAVPTGS2
SCHEMBL3439039 0.90 PTGS2 (0.44) ITGB3ITGAVPTGS2LTB4R2

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-7452878-B2 Biaromatic compounds which activate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-11-18 US claimed