SCHEMBL27619975

SCHEMBL27619975

O=C(O)CCCc1ccc(CCCO)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.69
HDAC3 O15379 1/20 0.69
MAPK1 P28482 1/20 0.69
ADRA1A P35348 1/20 0.69
HDAC4 P56524 1/20 0.69
SLC6A3 Q01959 1/20 0.69
HDAC1 Q13547 1/20 0.69
HDAC7 Q8WUI4 1/20 0.69
HDAC2 Q92769 1/20 0.69
HDAC10 Q969S8 1/20 0.69
HDAC11 Q96DB2 1/20 0.69
HDAC8 Q9BY41 1/20 0.69
HDAC6 Q9UBN7 1/20 0.69
HDAC9 Q9UKV0 1/20 0.69
HDAC5 Q9UQL6 1/20 0.69
HSD17B10 Q99714 1/20 0.63
FFAR1 O14842 4/20 0.59
MAPT P10636 2/20 0.59
RXFP1 Q9HBX9 1/20 0.59
RXRA P19793 1/20 0.56

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
SCHEMBL22070653 0.91 FFAR1 (0.63) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL6208836 0.91 SMN1; SMN2 (0.82) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL69789 0.89 SMN1; SMN2 (0.78) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL29129893 0.87 SMN1; SMN2 (0.69) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
Phenylbutanoic Acid SCHEMBL19643832 0.86 HDAC1 (0.81) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL7827144 0.84 MAPT (0.80) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL7065645 0.84 MAPT (0.79) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL7565477 0.84 FFAR1 (0.67) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL11477107 0.83 SMN1; SMN2 (0.69) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4
SCHEMBL284671 0.83 SMN1; SMN2 (0.69) SMN1; SMN2HDAC3MAPK1ADRA1AHDAC4

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
CN-1751037-A Sulfonamide derivatives as PPAR modulators LILLY CO ELI (US) 2006-03-22 CN disclosed