SCHEMBL9255477

SCHEMBL9255477

CCCCCCCC(NC(=O)Nc1ccc(F)cc1F)c1ccc(C(=O)O)c(CCOC)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.44
POLB P06746 1/20 0.44
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
FAAH O00519 1/20 0.36
PTPN1 P18031 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9256519 0.84 ALDH1A1 (0.52) KMT2AHSD17B10MAPT
SCHEMBL9254553 0.84 PTPN1 (0.47) POLBKMT2AMAPTPTPN1SMN1; SMN2
SCHEMBL9577665 0.75 SOAT1 (0.61) PPARGPPARA
SCHEMBL3285024 0.67 RARB (0.56) PPARGPPARAKMT2AMAPTHTT
SCHEMBL27265696 0.65 EPHX2 (0.69) PKMKMT2AHTTRAB9A
SCHEMBL4129794 0.65 EPHX2 (0.69) PKMKMT2AHTTRAB9A
SCHEMBL9848447 0.63 RAB9A (0.54) PKMHTTRAB9ANPC1SMN1; SMN2
SCHEMBL4133118 0.62 POLB (0.58) PKMPOLBHSD17B10HTTRAB9A
SCHEMBL4787195 0.62 PPARA (0.51) PPARGPPARA
SCHEMBL17049552 0.62 PKM (0.70) PKMPOLBKMT2AHSD17B10MAPT

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
US-5422373-A An alkoxybenzyl-alkylene-arylurea anticholesterol, antilipemic agents and enzyme inhibitors BURROUGHS WELLCOME CO. (US) 1995-06-06 US disclosed