SCHEMBL2174613

SCHEMBL2174613

CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(C[C@H](OCc3ccccc3)C(=O)OC)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
SIRT2 Q8IXJ6 6/20 0.42
SIRT1 Q96EB6 5/20 0.42
SIRT3 Q9NTG7 1/20 0.42
PLG P00747 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
PTGS2 P35354 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
POLB P06746 1/20 0.38
LTB4R2 Q9NPC1 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
SCHEMBL2175152 0.94 PTGS2 (0.42) ITGB3ITGAVSIRT2SIRT1PLG
SCHEMBL2175148 0.94 PTGS2 (0.42) ITGB3ITGAVSIRT2SIRT1PLG
SCHEMBL2173921 0.93 ITGB3 (0.43) ITGB3ITGAVPLGPRSS1PRSS2
SCHEMBL2173924 0.93 ITGB3 (0.43) ITGB3ITGAVPLGPRSS1PRSS2
SCHEMBL2175533 0.91 PTGS2 (0.40) ITGB3ITGAVPLGPRSS1PRSS2
SCHEMBL2175536 0.91 PTGS2 (0.40) ITGB3ITGAVPLGPRSS1PRSS2
SCHEMBL2174734 0.90 PTGS2 (0.40) ITGB3ITGAVPLGPRSS1PRSS2
SCHEMBL2175701 0.87 PTGS2 (0.38) ITGB3ITGAVPLGPRSS1PRSS2
SCHEMBL2174738 0.87 PPARG (0.47) ITGB3ITGAVPLGPRSS1PRSS2
SCHEMBL2174731 0.87 PPARG (0.47) ITGB3ITGAVPLGPRSS1PRSS2

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 3 patents. 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
EP-1742608-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARϝ-TYPE RECEPTORS, THEIR PROCESS OF PREPARATION AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-01-17 EP disclosed
WO-2005108352-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARϜ-TYPE RECEPTORS, THEIR PROCESS OF PREPARATION AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-11-17 WO disclosed