SCHEMBL9811028

SCHEMBL9811028

CCCCCCCCCCCCC(CCCCCCCCCCCC)(C(=O)O)C(CSc1nc2ccccc2s1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 4/20 0.46
POLB P06746 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
APEX1 P27695 2/20 0.46
RECQL P46063 2/20 0.46
ALOX5 P09917 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL9811038 0.87 MAPT (0.53) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9811262 0.80 MAPT (0.52) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9811130 0.79 MAPT (0.42) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9811223 0.79 PPARA (0.45) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9811020 0.79 SMN1; SMN2 (0.48) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9811199 0.79 MAPT (0.51) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9811191 0.78 MAPT (0.52) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9811066 0.77 MAPT (0.51) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9811208 0.76 MAPT (0.53) MAPTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL9811083 0.76 PPARA (0.44) MAPTSMN1; SMN2NPC1RAB9ALMNA

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