SCHEMBL9811191

SCHEMBL9811191

CC(C)(C(=O)O)C(C)(C(=O)O)C(CSc1nc2ccccc2s1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
POLB P06746 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
APEX1 P27695 2/20 0.51
RECQL P46063 2/20 0.51
MAPK1 P28482 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TSHR P16473 1/20 0.51
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
ALOX5 P09917 6/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47

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
SCHEMBL9811066 0.83 MAPT (0.51) MAPTSMN1; SMN2POLBALDH1A1HPGD
SCHEMBL9811038 0.83 MAPT (0.53) MAPTSMN1; SMN2POLBALDH1A1HPGD
SCHEMBL10821618 0.78 APEX1 (0.62) MAPTSMN1; SMN2POLBALDH1A1HPGD
SCHEMBL9811028 0.78 MAPT (0.47) MAPTSMN1; SMN2POLBALDH1A1HPGD
SCHEMBL9811145 0.76 MAPT (0.59) MAPTSMN1; SMN2POLBALDH1A1HPGD
Benzothiazolylcysteine SCHEMBL30368578 0.75 POLB (0.61) MAPTSMN1; SMN2POLBALDH1A1HPGD
Benzothiazolylcysteine SCHEMBL8963324 0.75 POLB (0.61) MAPTSMN1; SMN2POLBALDH1A1HPGD
Benzothiazolylcysteine SCHEMBL8963327 0.75 POLB (0.61) MAPTSMN1; SMN2POLBALDH1A1HPGD
SCHEMBL11021888 0.75 SMN1; SMN2 (0.54) MAPTSMN1; SMN2POLBHPGDNPC1
SCHEMBL9811169 0.75 MAPT (0.58) MAPTSMN1; SMN2POLBALDH1A1HPGD

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