SCHEMBL11709554

SCHEMBL11709554

COc1ccc(CCCC(=O)O)c(C)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 9/20 0.42
IMPDH2 P12268 2/20 0.41
POLB P06746 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
PPARG P37231 1/20 0.40
LMNA P02545 1/20 0.40
SELP P16109 1/20 0.39

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
SCHEMBL11707394 0.88 POLB (0.40) FFAR4POLBRXRARXRBRXRG
SCHEMBL11706103 0.88 POLB (0.42) FFAR4POLBPPARGLMNASELP
SCHEMBL11708826 0.86 FFAR4 (0.44) FFAR4IMPDH2POLBRXRARXRB
SCHEMBL30888543 0.84 POLB (0.42) FFAR4POLBPPARGLMNASELP
SCHEMBL4426553 0.82 POLB (0.42) POLB
SCHEMBL6174574 0.80 PPARA (0.50) LMNA
SCHEMBL11111891 0.80 POLB (0.50) FFAR4POLBRXRARXRBRXRG
SCHEMBL12036073 0.79 CYP4F2 (0.49) POLBLMNA
SCHEMBL7412627 0.79 FFAR4 (0.50) FFAR4LMNA
SCHEMBL6112808 0.78 PPARA (0.51) LMNA

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-4003927-A DIURETICS MERCK & CO., INC. (US) 1977-01-18 US disclosed