SCHEMBL9811149

SCHEMBL9811149

CCCCCC(CC)C(C(=O)O)C(C)Sc1nc2ccccc2s1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.48
PPARG P37231 6/20 0.48
PPARD Q03181 3/20 0.48
POLB P06746 2/20 0.47
LMNA P02545 3/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 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
SCHEMBL7035800 0.80 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL7032997 0.80 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL14155839 0.80 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL7035735 0.80 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL9811034 0.79 POLB (0.55) PPARAPOLBLMNATSHRMAPK1
SCHEMBL9811152 0.78 POLB (0.46) PPARAPPARGPPARDPOLBLMNA
Hydroxyamine SCHEMBL7071742 0.78 PPARA (0.66) PPARAPPARGPPARD
SCHEMBL7034394 0.78 PPARA (0.62) PPARAPPARGPPARDLMNATSHR
SCHEMBL14156106 0.78 PPARA (0.55) PPARAPPARGPPARDPOLBLMNA
SCHEMBL14156144 0.77 PPARA (0.56) PPARAPPARGPPARDSMN1; SMN2KDM4E

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