SCHEMBL9811208

SCHEMBL9811208

CCCCC(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 2/20 0.52
APEX1 P27695 2/20 0.52
RECQL P46063 1/20 0.52
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HPGD P15428 2/20 0.52
MAPK1 P28482 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TSHR P16473 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ALOX5 P09917 4/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP3A4 P08684 1/20 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
SCHEMBL9811199 0.95 MAPT (0.51) MAPTPOLBAPEX1RECQLALDH1A1
SCHEMBL9811169 0.88 MAPT (0.58) MAPTPOLBAPEX1RECQLALDH1A1
SCHEMBL10358412 0.83 ALDH1A1 (0.60) MAPTPOLBAPEX1RECQLALDH1A1
SCHEMBL8971875 0.83 ALDH1A1 (0.60) MAPTPOLBAPEX1RECQLALDH1A1
SCHEMBL9811262 0.83 MAPT (0.52) MAPTPOLBAPEX1RECQLALDH1A1
SCHEMBL7034394 0.80 PPARA (0.62) MAPK1HSD17B10TSHRLMNA
SCHEMBL9811145 0.79 MAPT (0.59) MAPTPOLBAPEX1RECQLALDH1A1
SCHEMBL16411250 0.79 CYP1A2 (0.54) MAPTPOLBAPEX1RECQLALDH1A1
Potassium Ion SCHEMBL9811070 0.79 MAPT (0.53) MAPTPOLBAPEX1RECQLALDH1A1
Ammonia Solution, Strong SCHEMBL9811140 0.79 POLB (0.52) 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 3 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
US-4696763-A PAINTS, BLENDS CIBA-GEIGY CORPORATION (US) 1987-09-29 US disclosed
EP-0161219-A2 Heterocyclic mercaptocarboxylic-acid esters and anhydrides as corrosion inhibiting agents CIBA-GEIGY AG (CH) 1985-11-13 EP disclosed