SCHEMBL9811199

SCHEMBL9811199

CCCCCCCCCCCCCCCCCCC(C(=O)O)C(CSc1nc2ccccc2s1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 2/20 0.50
APEX1 P27695 2/20 0.50
HPGD P15428 2/20 0.50
MAPK1 P28482 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.50
RECQL P46063 1/20 0.50
PPARG P37231 2/20 0.48
PPARD Q03181 2/20 0.48
PPARA Q07869 2/20 0.48
KMT2A Q03164 2/20 0.47
ALOX5 P09917 4/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 2/20 0.46

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
SCHEMBL9811208 0.95 MAPT (0.53) MAPTALDH1A1SMN1; SMN2POLBAPEX1
SCHEMBL9811262 0.88 MAPT (0.52) MAPTALDH1A1SMN1; SMN2POLBAPEX1
SCHEMBL9811169 0.86 MAPT (0.58) MAPTALDH1A1SMN1; SMN2POLBAPEX1
SCHEMBL367521 0.82 APEX1 (0.60) MAPTALDH1A1SMN1; SMN2POLBAPEX1
SCHEMBL366415 0.82 APEX1 (0.60) MAPTALDH1A1SMN1; SMN2POLBAPEX1
SCHEMBL367336 0.82 APEX1 (0.60) MAPTALDH1A1SMN1; SMN2POLBAPEX1
SCHEMBL367761 0.82 APEX1 (0.60) MAPTALDH1A1SMN1; SMN2POLBAPEX1
SCHEMBL13920083 0.82 APEX1 (0.60) MAPTALDH1A1SMN1; SMN2POLBAPEX1
SCHEMBL366556 0.82 APEX1 (0.60) MAPTALDH1A1SMN1; SMN2POLBAPEX1
SCHEMBL10358412 0.81 ALDH1A1 (0.60) MAPTALDH1A1SMN1; SMN2POLBAPEX1

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