SCHEMBL9502181

SCHEMBL9502181

CCCCCCCCCCOc1ccc(NC(=O)Nc2cc(C(=O)NCCOC)ccc2OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.55
ACAT1 P24752 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
TP53 P04637 3/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 3/20 0.50
CNR2 P34972 2/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MAPK1 P28482 1/20 0.47
PLA2G4B P0C869 1/20 0.47

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
SCHEMBL9505568 0.95 ACAT1 (0.60) SMPD1ACAT1MEN1KMT2ATP53
SCHEMBL9503848 0.95 ACAT1 (0.60) SMPD1ACAT1MEN1KMT2ATP53
SCHEMBL9506207 0.91 ACAT1 (0.55) SMPD1ACAT1MEN1KMT2ATP53
SCHEMBL9365138 0.90 ACAT1 (0.66) SMPD1ACAT1TP53MAPTGAA
SCHEMBL9361811 0.90 ACAT1 (0.66) SMPD1ACAT1TP53MAPTGAA
SCHEMBL9362330 0.90 ACAT1 (0.66) SMPD1ACAT1TP53MAPTGAA
SCHEMBL9503105 0.88 PLA2G4B (0.60) MEN1KMT2ATP53MAPTHTT
SCHEMBL9503027 0.87 MEN1 (0.58) MEN1KMT2ATP53MAPTHTT
SCHEMBL9361457 0.85 ACAT1 (0.67) SMPD1ACAT1TP53MAPTGAA
SCHEMBL9360907 0.85 ACAT1 (0.67) SMPD1ACAT1TP53MAPTGAA

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