SCHEMBL2174614

SCHEMBL2174614

CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(C(C)C(OCc3ccccc3)C(=O)O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.47
FAAH O00519 4/20 0.38
SIRT2 Q8IXJ6 2/20 0.38
SIRT1 Q96EB6 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SIRT3 Q9NTG7 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
SCHEMBL2174736 0.91 PTGS2 (0.49) PTGS2FAAH
SCHEMBL2175704 0.87 PTGS2 (0.47) PTGS2FAAH
SCHEMBL2174987 0.87 PTGS2 (0.46) PTGS2FAAH
SCHEMBL2175148 0.84 PTGS2 (0.42) PTGS2SIRT2SIRT1MEN1ALDH1A1
SCHEMBL2175152 0.84 PTGS2 (0.42) PTGS2SIRT2SIRT1MEN1ALDH1A1
SCHEMBL2173697 0.84 PTGS2 (0.51) PTGS2FAAH
SCHEMBL2173921 0.83 ITGB3 (0.43) PTGS2
SCHEMBL2173924 0.83 ITGB3 (0.43) PTGS2
SCHEMBL2174613 0.82 ITGB3 (0.42) PTGS2SIRT2SIRT1MEN1ALDH1A1
SCHEMBL3210607 0.81 NAAA (0.49) PTGS2ALDH1A1

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-7973063-B2 Methods for activating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-07-05 US disclosed