SCHEMBL28811181

SCHEMBL28811181

CC(C)(NC(=O)OS(=O)(=O)c1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ENPP3 O14638 2/20 0.41
ENPP1 P22413 2/20 0.41
PPARA Q07869 3/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.41
SHMT1 P34896 1/20 0.40
SHMT2 P34897 1/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL27960630 0.85 APEX1 (0.41) KMT2AFLT1FLT4KDR
SCHEMBL27960685 0.78 KDM4E (0.42) FLT1FLT4KDRL3MBTL1ALDH1A1
SCHEMBL11824718 0.74 ALDH1A1 (0.51) MEN1KMT2AMAPTCYP3A4CYP2C19
SCHEMBL14676570 0.73 MMP2 (0.52) PPARAF2PRSS1PRSS2PRSS3
SCHEMBL28811650 0.72 THRB (0.48) MEN1KMT2AF2PRSS1PRSS2
SCHEMBL27880968 0.72 KMT2A (0.53) MEN1KMT2AMAPTCYP3A4NPC1
SCHEMBL10596843 0.71 PPARA (0.44) MEN1KMT2AENPP3ENPP1PPARA
SCHEMBL29179755 0.70 NPC1 (0.58) MEN1KMT2AMAPTCYP3A4NPC1
SCHEMBL3755534 0.69 POLB (0.56) MEN1KMT2APPARAMAPTCYP1A2
SCHEMBL15458759 0.68 NPC1 (0.47) MEN1KMT2AENPP3ENPP1MAPT

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-103857655-B Compounds for inhibiting 11 beta-hydroxysteroid dehydrogenase 1 and pharmaceutical compositions comprising the same HYUNDAI PHARM Co.,Ltd. (KR) 2016-03-30 CN disclosed
CN-103857655-A Compounds for inhibiting 11 beta-hydroxysteroid dehydrogenase 1 and pharmaceutical compositions comprising the same HYUNDAI PHARM CO LTD 2014-06-11 CN disclosed