SCHEMBL8432209

SCHEMBL8432209

CCc1ccc(CC(=O)CC(O)=S)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
PLK1 P53350 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 1/20 0.41
RAB9A P51151 4/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 1/20 0.40
SRC P12931 1/20 0.40
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 2/20 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
SCHEMBL9638442 0.82 CA2 (0.57) ALDH1A1LMNARAB9ANPC1
SCHEMBL9079364 0.82 CES1 (0.54) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL7147959 0.81 ALDH1A1 (0.56) ALDH1A1PLK1SMN1; SMN2LMNARAB9A
SCHEMBL8603800 0.79 NPC1 (0.42) ALDH1A1PLK1SMN1; SMN2LMNARAB9A
SCHEMBL29158541 0.78 PLK1 (0.46) ALDH1A1PLK1SMN1; SMN2LMNARAB9A
SCHEMBL7149195 0.77 ALDH1A1 (0.52) ALDH1A1PLK1SMN1; SMN2LMNARAB9A
SCHEMBL29158545 0.77 PLK1 (0.44) ALDH1A1PLK1SMN1; SMN2LMNARAB9A
SCHEMBL10140460 0.77 CYP4F2 (0.50) ALDH1A1PLK1SMN1; SMN2LMNARAB9A
SCHEMBL156207 0.74 ALDH1A1 (0.63) ALDH1A1PLK1LMNAHPGDPOLB
SCHEMBL4541922 0.74 ALDH1A1 (0.48) ALDH1A1PLK1SMN1; SMN2LMNARAB9A

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-0721938-B1 Alkyl(hetero)cyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-12-08 EP disclosed
EP-0721938-A1 Alkyl(hetero)cyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-07-17 EP disclosed