SCHEMBL9811086

SCHEMBL9811086

CC(C)(C(=O)OCc1ccccc1)C(Sc1nc2ccccc2s1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
MAPK1 P28482 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
HPGD P15428 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 3/20 0.44
RECQL P46063 2/20 0.43
APEX1 P27695 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
LMNA P02545 4/20 0.42
HTT P42858 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CSNK1D P48730 1/20 0.42

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
SCHEMBL9304684 0.77 POLB (0.53) POLBMAPK1L3MBTL1PPARAHPGD
SCHEMBL10645293 0.75 L3MBTL1 (0.53) POLBMAPK1L3MBTL1HPGDALDH1A1
SCHEMBL22606841 0.75 MAPK1 (0.56) POLBMAPK1L3MBTL1HPGDALDH1A1
SCHEMBL10757211 0.74 MAPK1 (0.51) POLBMAPK1L3MBTL1PPARGPPARA
SCHEMBL10764127 0.72 POLB (0.52) POLBMAPK1L3MBTL1HPGDALDH1A1
SCHEMBL9306312 0.71 POLB (0.56) POLBMAPK1L3MBTL1PPARAHPGD
SCHEMBL14156242 0.71 POLB (0.50) POLBMAPK1L3MBTL1PPARAHPGD
SCHEMBL11114226 0.71 POLB (0.55) POLBMAPK1HPGDALDH1A1MAPT
SCHEMBL11352115 0.70 POLB (0.55) POLBMAPK1L3MBTL1PPARAHPGD
SCHEMBL9256223 0.70 ALDH1A1 (0.56) POLBMAPK1L3MBTL1HPGDALDH1A1

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-0161219-B1 HETEROCYCLIC MERCAPTOCARBOXYLIC-ACID ESTERS AND ANHYDRIDES AS CORROSION INHIBITING AGENTS CIBA-GEIGY AG (CH) 1991-06-12 EP disclosed
EP-0161219-A2 Heterocyclic mercaptocarboxylic-acid esters and anhydrides as corrosion inhibiting agents CIBA-GEIGY AG (CH) 1985-11-13 EP disclosed