SCHEMBL5815420

SCHEMBL5815420

[CH2]C(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.68
ALDH1A1 P00352 3/20 0.67
GAA P10253 1/20 0.67
MEN1 O00255 1/20 0.65
LMNA P02545 1/20 0.65
MAPK1 P28482 1/20 0.65
MMP13 P45452 1/20 0.65
KMT2A Q03164 1/20 0.65
HPGD P15428 4/20 0.63
HSD17B10 Q99714 3/20 0.63
RAB9A P51151 2/20 0.63
TP53 P04637 1/20 0.63
CRHBP P24387 1/20 0.63
RECQL P46063 1/20 0.63
CRHR2 Q13324 1/20 0.63
NPC1 O15118 1/20 0.63
HSP90AA1 P07900 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
ALDH2 P05091 1/20 0.60
HTT P42858 1/20 0.60

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
SCHEMBL179085 0.87 RAB9A (0.76) SMN1; SMN2ALDH1A1GAAMEN1LMNA
SCHEMBL2937877 0.85 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1GAAMEN1LMNA
SCHEMBL4991673 0.84 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1GAAMEN1LMNA
SCHEMBL7322125 0.84 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1GAAMEN1LMNA
SCHEMBL179082 0.84 HPGD (0.73) SMN1; SMN2ALDH1A1GAAMEN1LMNA
SCHEMBL20456560 0.83 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1GAAMEN1LMNA
SCHEMBL29396735 0.83 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1GAAMEN1LMNA
SCHEMBL179025 0.83 HPGD (0.84) SMN1; SMN2ALDH1A1GAAMEN1LMNA
SCHEMBL179079 0.83 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1GAAMEN1LMNA
SCHEMBL109299 0.83 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1GAAMEN1LMNA

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
CN-101289483-B Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG 2012-06-20 CN disclosed
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed