SCHEMBL9811066

SCHEMBL9811066

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
POLB P06746 2/20 0.50
APEX1 P27695 2/20 0.50
RECQL P46063 2/20 0.50
MAPK1 P28482 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
ALOX5 P09917 5/20 0.47
MEN1 O00255 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL9811191 0.83 MAPT (0.52) MAPTALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL9811038 0.82 MAPT (0.53) MAPTALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL10821618 0.80 APEX1 (0.62) MAPTALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL9811028 0.77 MAPT (0.47) MAPTALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL8972649 0.76 ALDH1A1 (0.48) MAPTALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL10358412 0.76 ALDH1A1 (0.60) MAPTALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL9811145 0.75 MAPT (0.59) MAPTALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL9443121 0.75 ALDH1A1 (0.61) MAPTALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL29023728 0.74 CYP1A2 (0.56) MAPTALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL29023738 0.74 MAPT (0.66) MAPTALDH1A1HPGDSMN1; SMN2POLB

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 1 patent. 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