SCHEMBL6251972

SCHEMBL6251972

CNCCC(C)C(=O)NCCc1cccc(-c2ccc(Nc3ccccc3C(=O)O)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
RECQL P46063 2/20 0.44
KMT2A Q03164 2/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HCAR2 Q8TDS4 6/20 0.41
MT-CO2 P00403 1/20 0.40
CTSV O60911 2/20 0.40
CTSL P07711 2/20 0.40
SIRT2 Q8IXJ6 2/20 0.39
SIRT1 Q96EB6 1/20 0.39
FABP4 P15090 1/20 0.39
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
TAS2R14 Q9NYV8 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
PTGER4 P35408 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL6255101 0.92 ERAP2 (0.45) MEN1RECQLKMT2ABLMTDP1
SCHEMBL6253265 0.80 ERAP2 (0.45) MEN1RECQLKMT2ABLMTDP1
SCHEMBL6254034 0.80 CYP3A4 (0.50) MEN1RECQLKMT2ABLMTDP1
SCHEMBL5360875 0.79 PTPN11 (0.44) MEN1RECQLKMT2ABLMTDP1
SCHEMBL6251973 0.75 ABCC1 (0.44) MEN1RECQLKMT2ABLMTDP1
SCHEMBL5358940 0.73 AOC3 (0.48) HCAR2SIRT2
SCHEMBL5365598 0.72 PTPN11 (0.41) MEN1RECQLKMT2ABLMTDP1
SCHEMBL6475355 0.71 MEN1 (0.69) MEN1RECQLKMT2ABLMTDP1
SCHEMBL8088220 0.71 FABP4 (0.73) MEN1RECQLKMT2ABLMTDP1
SCHEMBL5360954 0.70 ALOX15 (0.42) MEN1KMT2AMMP2MMP3ALDH1A1

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