SCHEMBL9420192

SCHEMBL9420192

CC(C)(C)c1cc(-n2nc3ccc(Cl)cc3n2)cc(CCC(=O)O)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
RBP4 P02753 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 1/20 0.35
KMO O15229 2/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MITF O75030 1/20 0.34
HPGD P15428 1/20 0.34
KLF5 Q13887 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARG P37231 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7109291 0.89 EGFR (0.40) RXFP1MAPTTP53KDM4EALDH1A1
SCHEMBL7199140 0.88 PPARG (0.44) HDAC6NR1H4TP53KDM4EALDH1A1
SCHEMBL3900613 0.83 NPC1 (0.44) RXFP1MAPTTP53KDM4EALDH1A1
SCHEMBL2164286 0.82 EPHX2 (0.37) ALDH1A1TDP1
SCHEMBL12804143 0.81 MAPT (0.33) RXFP1MAPTTP53KDM4EPPARG
SCHEMBL29365566 0.81 MAOB (0.40) HDAC6RBP4KMOKDM4EALDH1A1
SCHEMBL101259 0.81 MAOB (0.40) HDAC6RBP4KMOKDM4EALDH1A1
SCHEMBL7689792 0.81 HDAC6 (0.37) HDAC6RBP4NR1H4MAPTTP53
SCHEMBL29481344 0.78 NPC1 (0.42) RXFP1MAPTTP53KDM4EALDH1A1
SCHEMBL1276012 0.78 NPC1 (0.42) RXFP1MAPTTP53KDM4EALDH1A1

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-5281646-A Emulsion polymerization of aromatic vinyl compound and vinyl cyanide in the presence of a conjugated diene rubber, flocculation, slurrying, pelletization SUMITOMO CHEMICAL COMPANY, LIMITED AND SUMITOMO DOW LIMITED (JP) 1994-01-25 US disclosed