SCHEMBL9504068

SCHEMBL9504068

CCCCCCCOCCCOCCCC(=O)Nc1cccc(C(N)=O)c1SC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRA2A P08913 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SOAT1 P35610 2/20 0.42
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
EP300 Q09472 1/20 0.39
POLB P06746 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
SCHEMBL9501914 0.88 KMT2A (0.57) CETPKMT2AMEN1ALDH1A1MAPT
SCHEMBL9504171 0.76 CETP (0.58) CETPKMT2AMEN1ALDH1A1LMNA
SCHEMBL5010196 0.73 CETP (0.63) CETPKMT2AMEN1ALDH1A1MAPT
SCHEMBL30738545 0.72 CETP (0.53) CETPKMT2AMEN1ALDH1A1LMNA
SCHEMBL28926989 0.71 CETP (0.57) CETPKMT2AMEN1ALDH1A1SOAT1
SCHEMBL30102565 0.71 CETP (0.54) CETPKMT2AMEN1ALDH1A1SOAT1
SCHEMBL30107585 0.70 HPGD (0.46) CETPKMT2AMEN1ALDH1A1MAPT
SCHEMBL9505535 0.70 ACAT1 (0.69) CETPALDH1A1MAPTLMNAHDAC3
SCHEMBL30107591 0.70 KDM4E (0.48) CETPKMT2AMEN1ALDH1A1MAPT
SCHEMBL23073777 0.69 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1MAPTLMNA

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
EP-0543865-A1 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed