SCHEMBL9502491

SCHEMBL9502491

CCCCCCCCCCCOc1ccc(NC(=O)Nc2cc(C(=O)NCCCC)ccc2C)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.62
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
PLK1 P53350 3/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
POLB P06746 1/20 0.46
FAAH O00519 1/20 0.46

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
SCHEMBL9502984 1.00 ACAT1 (0.62) ACAT1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9502105 0.91 ACAT1 (0.57) ACAT1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9505446 0.91 ACAT1 (0.57) ACAT1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9361226 0.89 ACAT1 (0.76) ACAT1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9365170 0.88 ACAT1 (0.74) ACAT1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9503848 0.88 ACAT1 (0.60) ACAT1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9505568 0.88 ACAT1 (0.60) ACAT1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9502933 0.87 ACAT1 (0.82) ACAT1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9505689 0.86 ACAT1 (0.68) ACAT1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL9361133 0.83 ACAT1 (0.67) ACAT1MAPTSMN1; SMN2MEN1KMT2A

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