SCHEMBL9811038

SCHEMBL9811038

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
POLB P06746 3/20 0.52
APEX1 P27695 2/20 0.52
RECQL P46063 2/20 0.52
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 3/20 0.52
MAPK1 P28482 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TSHR P16473 1/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
LMNA P02545 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HTT P42858 2/20 0.52
ATM Q13315 1/20 0.52
ALOX5 P09917 4/20 0.49
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48

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
SCHEMBL9811028 0.87 MAPT (0.47) MAPTPOLBAPEX1RECQLALDH1A1
SCHEMBL9811191 0.83 MAPT (0.52) MAPTPOLBAPEX1RECQLALDH1A1
SCHEMBL9811066 0.82 MAPT (0.51) MAPTPOLBAPEX1RECQLALDH1A1
SCHEMBL9811145 0.79 MAPT (0.59) MAPTPOLBAPEX1RECQLALDH1A1
SCHEMBL10821618 0.79 APEX1 (0.62) MAPTPOLBAPEX1RECQLALDH1A1
SCHEMBL9811112 0.78 MAPT (0.45) MAPTPOLBAPEX1RECQLALDH1A1
SCHEMBL9811169 0.78 MAPT (0.58) MAPTPOLBAPEX1RECQLALDH1A1
SCHEMBL9811224 0.78 MAPT (0.58) MAPTPOLBAPEX1RECQLALDH1A1
SCHEMBL9305867 0.77 MAPT (0.50) MAPTPOLBAPEX1RECQLALDH1A1
SCHEMBL29023738 0.76 MAPT (0.66) MAPTPOLBAPEX1RECQLALDH1A1

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