SCHEMBL7166097

SCHEMBL7166097

CCN(CC)C(=O)OCCc1csc(NS(=O)(=O)c2cccc(Cl)c2S(C)(=O)=O)n1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 4/20 0.57
▸ HSD17B1 P14061 2/20 0.57
▸ HSD17B2 P37059 2/20 0.57
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ POLB P06746 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ CTPS1 P17812 4/20 0.39
▸ PKM P14618 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 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
SCHEMBL3618080 0.89 HSD11B1 (0.72) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL28756901 0.87 HSD11B1 (0.56) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL7175079 0.81 HSD11B1 (0.52) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL20899779 0.80 HSD11B1 (0.74) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL7137179 0.78 HSD11B1 (0.58) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL3612961 0.77 HSD11B1 (0.65) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL3615981 0.77 HSD11B1 (0.64) HSD11B1HSD17B1HSD17B2KMT2AMEN1
Butane SCHEMBL20899778 0.76 HSD11B1 (0.62) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL3613203 0.76 HSD11B1 (0.62) HSD11B1HSD17B1HSD17B2KMT2AMEN1
SCHEMBL3604043 0.75 HSD11B1 (0.62) HSD11B1HSD17B1HSD17B2KMT2AMEN1

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-1283831-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-02-19 — — EP disclosed
WO-2001090090-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 — — WO disclosed
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