SCHEMBL4729307

SCHEMBL4729307

CCC(C(=O)O)c1ccc(CC=NOCCn2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.45
PPARA Q07869 4/20 0.45
PPARD Q03181 1/20 0.45
PTGS2 P35354 1/20 0.41
FABP4 P15090 3/20 0.37
FABP5 Q01469 3/20 0.37
FABP3 P05413 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.35
PTGER4 P35408 1/20 0.35
SRC P12931 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA1A P35348 1/20 0.35
PTPN1 P18031 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4728561 0.82 FABP4 (0.46) PPARGPPARAPPARDPTGS2FABP4
SCHEMBL4729305 0.79 HPGD (0.42) PPARGPPARAPPARDPTGS2FABP4
SCHEMBL4730346 0.73 PSEN1 (0.44) PPARGPPARAPPARDFABP4FABP5
SCHEMBL4726682 0.70 AKR1C3 (0.42) PPARGPPARA
SCHEMBL4727902 0.70 PPARA (0.42) PPARGPPARAPPARDHPGD
SCHEMBL1715 0.64 LMNA (0.59) ALDH1A1KMT2AMEN1HTR1AADRA1A
SCHEMBL65737 0.64 LMNA (0.59) ALDH1A1KMT2AMEN1HTR1AADRA1A
SCHEMBL67237 0.64 LMNA (0.59) ALDH1A1KMT2AMEN1HTR1AADRA1A
SCHEMBL20769804 0.64 LMNA (0.59) ALDH1A1KMT2AMEN1HTR1AADRA1A
SCHEMBL29757088 0.64 LMNA (0.59) ALDH1A1KMT2AMEN1HTR1AADRA1A

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
WO-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO claimed
WO-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO disclosed