SCHEMBL9505689

SCHEMBL9505689

CCCCCCCCCCOc1ccc(NC(=O)Nc2cc(C(=O)NCCCC)ccc2SCC)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA7 P43166 2/20 0.46
CA12 O43570 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
FAAH O00519 5/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9502933 0.91 ACAT1 (0.82) ACAT1SMN1; SMN2MAPK1HTTCA1
SCHEMBL9366207 0.90 ACAT1 (0.83) ACAT1SMN1; SMN2MAPK1HTTNR1H4
SCHEMBL9366147 0.90 ACAT1 (0.83) ACAT1SMN1; SMN2MAPK1HTTNR1H4
SCHEMBL9361223 0.90 ACAT1 (0.83) ACAT1SMN1; SMN2MAPK1HTTNR1H4
SCHEMBL9502491 0.86 ACAT1 (0.62) ACAT1SMN1; SMN2MAPK1HTTCA1
SCHEMBL9502984 0.86 ACAT1 (0.62) ACAT1SMN1; SMN2MAPK1HTTCA1
SCHEMBL9502255 0.85 ACAT1 (0.72) ACAT1SMN1; SMN2MAPK1HTTCA1
SCHEMBL9502212 0.85 ACAT1 (0.72) ACAT1SMN1; SMN2MAPK1HTTCA1
SCHEMBL9502100 0.85 ACAT1 (0.72) ACAT1SMN1; SMN2MAPK1HTTCA1
SCHEMBL9503848 0.85 ACAT1 (0.60) ACAT1SMN1; SMN2MAPK1HTTMEN1

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