SCHEMBL9129396

SCHEMBL9129396

[NH]C(=O)CCCCCCCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.71
RXFP1 Q9HBX9 1/20 0.71
HDAC1 Q13547 5/20 0.62
HDAC2 Q92769 3/20 0.62
ALOX5 P09917 3/20 0.62
FAAH O00519 3/20 0.61
CES1 P23141 3/20 0.61
HDAC3 O15379 2/20 0.59
HDAC4 P56524 2/20 0.59
HDAC7 Q8WUI4 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC9 Q9UKV0 2/20 0.59
HDAC5 Q9UQL6 2/20 0.59
MAPK1 P28482 1/20 0.59
ADRA1A P35348 1/20 0.59
SLC6A3 Q01959 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL3244035 1.00 MAPT (0.71) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL6561091 1.00 MAPT (0.71) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL2491503 0.98 MAPT (0.68) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL1170624 0.92 HDAC1 (0.69) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL770290 0.83 MAPT (1.00) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL2555645 0.83 MAPT (1.00) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL503837 0.83 MAPT (1.00) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL5955839 0.83 MAPT (1.00) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL2554345 0.83 MAPT (1.00) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL1008045 0.83 MAPT (1.00) MAPTRXFP1HDAC1HDAC2ALOX5

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
US-5432267-A Inhibits tumor necrosis factor derivation by endotoxin DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-07-11 US disclosed
EP-0563908-A1 Amino sugar derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-10-06 EP disclosed