SCHEMBL9811083

SCHEMBL9811083

CCCCCCCCC(C(=O)O)C(CCCCCCCC)(C(=O)O)C(CCCCCCCC)(Sc1nc2ccccc2s1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.44
PPARG P37231 12/20 0.44
PPARD Q03181 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9811200 0.80 SMN1; SMN2 (0.42) PPARASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL9811127 0.77 PTGS2 (0.43) PPARASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL9811028 0.76 MAPT (0.47) SMN1; SMN2KDM4EMAPTALDH1A1POLB
SCHEMBL7071737 0.75 MAPT (0.45) PPARAPPARGPPARDSMN1; SMN2KDM4E
SCHEMBL9811130 0.74 MAPT (0.42) PPARAPPARGPPARDSMN1; SMN2KDM4E
SCHEMBL7032997 0.73 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL7035735 0.73 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL7035800 0.73 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL14155839 0.73 PPARA (0.68) PPARAPPARGPPARD
SCHEMBL9811006 0.72 NPC1 (0.38) 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