SCHEMBL6253265

SCHEMBL6253265

CC(=O)CCC(C)C(=O)NCc1cccc(-c2ccc(Nc3ccccc3C(=O)O)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
LNPEP Q9UIQ6 1/20 0.45
KCNB1 Q14721 1/20 0.44
KDM4C Q9H3R0 1/20 0.41
HCAR2 Q8TDS4 5/20 0.41
CFD P00746 1/20 0.41
CTSV O60911 2/20 0.40
CTSL P07711 2/20 0.40
AOC3 Q16853 2/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
FABP4 P15090 1/20 0.39
FFAR1 O14842 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
SCHEMBL6255101 0.89 ERAP2 (0.45) ERAP2ERAP1LNPEPKCNB1KDM4C
SCHEMBL6254034 0.88 CYP3A4 (0.50) ERAP2ERAP1LNPEPKCNB1KDM4C
SCHEMBL5360875 0.87 PTPN11 (0.44) ERAP2ERAP1LNPEPKCNB1KDM4C
SCHEMBL6251972 0.80 MEN1 (0.44) HCAR2CTSVCTSLMEN1RECQL
SCHEMBL5360954 0.78 ALOX15 (0.42) ERAP2ERAP1LNPEPKCNB1MEN1
SCHEMBL5365598 0.78 PTPN11 (0.41) ERAP2ERAP1LNPEPKCNB1KDM4C
SCHEMBL5362814 0.76 KCNB1 (0.42) ERAP2ERAP1LNPEPKCNB1MEN1
SCHEMBL5359635 0.74 AOC3 (0.50) HCAR2AOC3SIRT2
SCHEMBL5361015 0.73 KCNB1 (0.44) ERAP2ERAP1LNPEPKCNB1AOC3
SCHEMBL5374067 0.73 LTB4R2 (0.42) MEN1RECQLBLMKMT2ATDP1

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-1572629-A1 COMPOUNDS WHICH MODULATE PPARϝ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-09-14 EP claimed
WO-2004052840-A1 COMPOUNDS WHICH MODULATE PPARϜ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-24 WO claimed