SCHEMBL8045461

SCHEMBL8045461

Nc1ccccc1SCC(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.47
POLB P06746 4/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL8870482 0.80 HSD17B10 (0.62) HSD17B10POLBRXFP1ALDH1A1NPC1
SCHEMBL8045460 0.77 SMN1; SMN2 (0.39) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3892022 0.75 HSD17B10 (0.53) HSD17B10POLBALDH1A1NPC1RAB9A
SCHEMBL13162542 0.71 HSD17B10 (0.59) HSD17B10POLBALDH1A1NPC1RAB9A
SCHEMBL7402835 0.71 CYP1A2 (0.63) HSD17B10POLBALDH1A1NPC1RAB9A
SCHEMBL27044923 0.70 HSD17B10 (0.62) HSD17B10POLBALDH1A1NPC1RAB9A
SCHEMBL15562974 0.67 MAPT (0.55) HSD17B10POLBALDH1A1NPC1RAB9A
SCHEMBL11686013 0.67 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL7153877 0.65 L3MBTL1 (0.60) HSD17B10POLBRXFP1ALDH1A1MAPT
SCHEMBL27676047 0.65 HSD17B10 (0.44) HSD17B10POLBALDH1A1NPC1RAB9A

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-1001969-A1 PEPTIDOMIMETIC DERIVATIVES SUICIDAL INHIBITORS OF THE HIV PROLIFERATION ZAMBON GROUP S.p.A. (IT) 2000-05-24 EP disclosed
WO-1999001470-A2 PEPTIDOMIMETIC DERIVATIVES SUICIDAL INHIBITORS OF THE HIV PROLIFERATION ZAMBON GROUP S.P.A. (IT) 1999-01-14 WO disclosed