SCHEMBL8971297

SCHEMBL8971297

CC(=O)c1ccc(CCCC[N])cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.65
KMT2A Q03164 3/20 0.57
THRA P10827 7/20 0.50
THRB P10828 7/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 2/20 0.49
RARB P10826 5/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
ALDH1A1 P00352 1/20 0.46
RARA P10276 1/20 0.46
MAPT P10636 1/20 0.46
MTOR P42345 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL17457887 0.92 HSD17B10 (0.74) HSD17B10KMT2ATHRATHRBLMNA
SCHEMBL11424105 0.87 HSD17B10 (0.74) HSD17B10KMT2ATHRATHRBLMNA
SCHEMBL8561241 0.84 LMNA (0.71) HSD17B10KMT2ALMNARARBALDH1A1
SCHEMBL963847 0.84 THRA (0.67) HSD17B10KMT2ATHRATHRBMEN1
SCHEMBL9258997 0.84 HSD17B10 (0.65) HSD17B10KMT2ATHRATHRBLMNA
SCHEMBL9253738 0.84 CYP4A11 (0.66) HSD17B10KMT2ATHRATHRBLMNA
SCHEMBL9818052 0.83 KMT2A (0.73) HSD17B10KMT2ALMNAMAPTL3MBTL1
SCHEMBL4185050 0.82 THRA (0.70) HSD17B10KMT2ATHRATHRBMEN1
SCHEMBL8383207 0.82 THRA (0.70) HSD17B10KMT2ATHRATHRBMEN1
SCHEMBL499485 0.82 THRA (0.70) HSD17B10KMT2ATHRATHRBMEN1

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-0596802-B1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1996-03-20 EP disclosed
EP-0596802-A1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1994-05-11 EP disclosed