SCHEMBL27578485

SCHEMBL27578485

O=C(O)CCCCCCc1cccc(CO)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.68
▸ RXFP1 Q9HBX9 1/20 0.68
▸ HDAC6 Q9UBN7 2/20 0.56
▸ HDAC3 O15379 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ HDAC4 P56524 1/20 0.56
▸ SLC6A3 Q01959 1/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HDAC7 Q8WUI4 1/20 0.56
▸ HDAC2 Q92769 1/20 0.56
▸ HDAC10 Q969S8 1/20 0.56
▸ HDAC11 Q96DB2 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC9 Q9UKV0 1/20 0.56
▸ HDAC5 Q9UQL6 1/20 0.56
▸ TBXAS1 P24557 7/20 0.55
▸ LTB4R Q15722 3/20 0.52
▸ CYSLTR2 Q9NS75 1/20 0.51

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
SCHEMBL27712159 0.93 SMN1; SMN2 (0.66) MAPTRXFP1HDAC6HDAC3MAPK1
SCHEMBL1197247 0.93 MAPT (0.78) MAPTRXFP1HDAC6HDAC3MAPK1
SCHEMBL9051375 0.85 FFAR1 (0.64) HDAC6HDAC3MAPK1ADRA1AHDAC4
SCHEMBL25342051 0.85 HDAC3 (0.76) MAPTRXFP1HDAC6HDAC3MAPK1
SCHEMBL711512 0.85 MAPT (0.66) MAPTRXFP1HDAC11FFAR1
SCHEMBL25173309 0.85 MAPT (0.66) MAPTRXFP1HDAC11FFAR1
SCHEMBL10095169 0.85 MAPT (0.66) MAPTRXFP1HDAC6HDAC3MAPK1
SCHEMBL25170050 0.85 MAPT (0.66) MAPTRXFP1HDAC6HDAC3MAPK1
SCHEMBL12329336 0.85 MAPT (0.66) MAPTRXFP1HDAC6HDAC3MAPK1
SCHEMBL8987510 0.85 MAPT (0.71) MAPTRXFP1HDAC6HDAC3MAPK1

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
CN-101070316-A Diaryl acid derivatives as PPAR receptor ligands AVENTIS PHARMA GMBH (DE) 2007-11-14 — — CN disclosed
CN-1331862-C Diaryl acid derivatives as PPAR receptor ligands AVENTIS PHARAMCEUTICALS PRODUC (DE) 2007-08-15 — — CN disclosed
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