SCHEMBL11706103

SCHEMBL11706103

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
SELP P16109 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL11111891 0.92 POLB (0.50) POLBLMNAFFAR4SMN1; SMN2HSD17B10
SCHEMBL11709554 0.88 FFAR4 (0.42) POLBLMNAFFAR4SELPPPARG
SCHEMBL11707394 0.88 POLB (0.40) POLBLMNAFFAR4SELPSMN1; SMN2
SCHEMBL28389055 0.87 ALDH1A1 (0.42) POLBLMNASMN1; SMN2CLCN2
SCHEMBL30888543 0.86 POLB (0.42) POLBLMNAFFAR4SELPSMN1; SMN2
SCHEMBL4426553 0.85 POLB (0.42) POLBSMN1; SMN2MAPK1PPARAHPGD
SCHEMBL6112808 0.83 PPARA (0.51) LMNAHDAC1HDAC6PPARA
SCHEMBL6137022 0.81 HSD17B10 (0.56) POLBSMN1; SMN2HSD17B10CLCN2
SCHEMBL7412627 0.81 FFAR4 (0.50) LMNAFFAR4SMN1; SMN2HSD17B10CPT1A
SCHEMBL9717564 0.80 THRB (0.48) FFAR4

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