SCHEMBL9254553

SCHEMBL9254553

CCCCCCCC(NC(=O)Nc1ccccc1OCC)c1ccc(C(=O)O)c(CCOC)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.47
NPSR1 Q6W5P4 5/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.42
C5 P01031 2/20 0.40
PLK1 P53350 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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 0.85 ALDH1A1 (0.52) KMT2AMEN1GAAPLK1MAPT
SCHEMBL9255477 0.84 PKM (0.44) PTPN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL8768859 0.71 NPC1 (0.42) PTPN1KMT2ASMN1; SMN2POLBGAA
SCHEMBL8767702 0.69 L3MBTL1 (0.45) POLBGAACYP1A2LMNAMAPT
SCHEMBL8767887 0.68 PPARA (0.43) NPSR1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL23924441 0.68 PTPN1 (0.75) PTPN1NPSR1KMT2AMEN1POLB
SCHEMBL29406212 0.68 PTPN1 (0.75) PTPN1NPSR1KMT2AMEN1POLB
SCHEMBL13936650 0.67 KMT2A (0.49) NPSR1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL20897099 0.65 GAA (0.50) KMT2ASMN1; SMN2MEN1POLBGAA
SCHEMBL15093649 0.65 TACR3 (0.55) NPSR1POLBALDH1A1

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