SCHEMBL11762008

SCHEMBL11762008

O=C(O)c1ccc(CCCSCCCCCCO)c(CCCSCCCCCCO)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.32
SLC16A3 O15427 1/20 0.31
DHODH Q02127 1/20 0.31
BID P55957 4/20 0.31
MCL1 Q07820 4/20 0.31
BCL2L1 Q07817 3/20 0.31
BAK1 Q16611 3/20 0.31
KAT8 Q9H7Z6 2/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
EP300 Q09472 1/20 0.31
KAT2A Q92830 1/20 0.31
KAT2B Q92831 1/20 0.31
KAT5 Q92993 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
CA2 P00918 1/20 0.30

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
SCHEMBL11759380 1.00 ACLY (0.32) ACLYSLC16A3DHODHBIDMCL1
SCHEMBL11758300 1.00 ACLY (0.32) ACLYSLC16A3DHODHBIDMCL1
SCHEMBL11755866 1.00 ACLY (0.32) ACLYSLC16A3DHODHBIDMCL1
SCHEMBL11797565 0.99 DHODH (0.32) ACLYDHODHCA2
SCHEMBL11766085 0.94 CA2 (0.34) DHODHCA2
SCHEMBL11765166 0.92 DHODH (0.32) DHODH
SCHEMBL11766123 0.88 F13A1 (0.39)
SCHEMBL11762067 0.88 F13A1 (0.39)
SCHEMBL11762088 0.88 F13A1 (0.39)
SCHEMBL11761982 0.88 PPARA (0.44) BIDMCL1BCL2L1BAK1KAT8

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
US-4035337-A ALKYLTHIO ALKYL PHTHALATES ARMSTRONG CORK COMPANY (US) 1977-07-12 US disclosed