SCHEMBL9811223

SCHEMBL9811223

CCCCCCC(CCCCCC)(C(=O)O)C(C(=O)O)C(CCC)Sc1nc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 16/20 0.45
PPARG P37231 13/20 0.45
PPARD Q03181 6/20 0.45
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL9811028 0.79 MAPT (0.47) POLBSMN1; SMN2NPC1LMNAHTT
SCHEMBL11021267 0.79 KMT2A (0.48) PPARAPPARGPPARDSMN1; SMN2NPC1
SCHEMBL14156106 0.79 PPARA (0.55) PPARAPPARGPPARDPOLBSMN1; SMN2
SCHEMBL7035800 0.77 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL14155839 0.77 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL7035735 0.77 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL7032997 0.77 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL9811130 0.77 MAPT (0.42) PPARAPPARGPPARDPOLBSMN1; SMN2
SCHEMBL9443222 0.75 PPARA (0.49) PPARAPOLBSMN1; SMN2LMNAKDM4E
Hydroxyamine SCHEMBL7071742 0.75 PPARA (0.66) PPARAPPARGPPARD

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