SCHEMBL9505568

SCHEMBL9505568

CCCCCCCCCCCOc1ccc(NC(=O)Nc2cc(C(=O)NCCCC)ccc2OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.60
SMPD1 P17405 5/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
HTT P42858 3/20 0.54
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 2/20 0.54
LMNA P02545 1/20 0.54
RAB9A P51151 1/20 0.54
GAA P10253 3/20 0.51
CNR2 P34972 2/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MAPK1 P28482 2/20 0.48
PLA2G4B P0C869 1/20 0.48

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
SCHEMBL9503848 1.00 ACAT1 (0.60) ACAT1SMPD1MEN1KMT2AHTT
SCHEMBL9502181 0.95 SMPD1 (0.55) ACAT1SMPD1MEN1KMT2AHTT
SCHEMBL9506207 0.92 ACAT1 (0.55) ACAT1SMPD1MEN1KMT2AHTT
SCHEMBL9362298 0.90 ACAT1 (0.73) ACAT1SMPD1MAPTTP53GAA
SCHEMBL9362439 0.90 ACAT1 (0.73) ACAT1SMPD1MAPTTP53GAA
SCHEMBL9365181 0.90 ACAT1 (0.73) ACAT1SMPD1MAPTTP53GAA
SCHEMBL9503105 0.89 PLA2G4B (0.60) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL9361174 0.89 ACAT1 (0.71) ACAT1SMPD1MEN1KMT2AMAPT
SCHEMBL9502491 0.88 ACAT1 (0.62) ACAT1MEN1KMT2AHTTMAPT
SCHEMBL9502984 0.88 ACAT1 (0.62) ACAT1MEN1KMT2AHTTMAPT

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-0543891-A1 DIPHENYLUREA DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed
WO-1992003413-A1 DIPHENYLUREA DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1992-03-05 WO disclosed