SCHEMBL9664720

SCHEMBL9664720

CCCCCC(=O)NCC(=O)Nc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.69
SOAT1 P35610 1/20 0.69
EPHX2 P34913 1/20 0.59
HDAC8 Q9BY41 12/20 0.58
HDAC3 O15379 10/20 0.58
HDAC6 Q9UBN7 10/20 0.58
HDAC1 Q13547 10/20 0.58
HDAC2 Q92769 9/20 0.58
HDAC4 P56524 8/20 0.57
HDAC11 Q96DB2 8/20 0.57
HDAC5 Q9UQL6 8/20 0.57
HDAC10 Q969S8 7/20 0.57
HDAC7 Q8WUI4 7/20 0.57
HDAC9 Q9UKV0 7/20 0.57
ICMT O60725 1/20 0.57
ALB P02768 1/20 0.57
ALDH1A1 P00352 1/20 0.56
KDM4E B2RXH2 1/20 0.55
BRD4 O60885 1/20 0.55
NCOR1 O75376 1/20 0.55

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
SCHEMBL9666631 0.98 SOAT2 (0.72) SOAT2SOAT1EPHX2HDAC8HDAC3
SCHEMBL9664865 0.98 SOAT2 (0.72) SOAT2SOAT1EPHX2HDAC8HDAC3
SCHEMBL9664783 0.98 SOAT2 (0.72) SOAT2SOAT1EPHX2HDAC8HDAC3
SCHEMBL9664918 0.98 SOAT2 (0.72) SOAT2SOAT1EPHX2HDAC8HDAC3
SCHEMBL9667027 0.98 SOAT2 (0.72) SOAT2SOAT1EPHX2HDAC8HDAC3
SCHEMBL1897242 0.89 SOAT2 (0.79) SOAT2SOAT1HDAC8HDAC3HDAC6
SCHEMBL282938 0.87 SOAT2 (0.82) SOAT2SOAT1HDAC8HDAC3HDAC6
Hydrochloric Acid SCHEMBL3619792 0.87 SOAT2 (0.77) SOAT2SOAT1HDAC8HDAC3HDAC6
SCHEMBL8743258 0.87 SOAT2 (0.82) SOAT2SOAT1HDAC8HDAC3HDAC6
SCHEMBL8743011 0.87 SOAT2 (0.82) SOAT2SOAT1HDAC8HDAC3HDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0473700-A1 AN ENZYME-CATALYZED PROCESS FOR PREPARING N-ACYL AMINO ACIDS AND N-ACYL AMINO ACID AMIDES NOVO NORDISK A/S (DK) 1992-03-11 EP claimed
WO-1990014429-A1 AN ENZYME-CATALYZED PROCESS FOR PREPARING N-ACYL AMINO ACIDS AND N-ACYL AMINO ACID AMIDES NOVO NORDISK A/S (DK) 1990-11-29 WO claimed
EP-0473700-A1 AN ENZYME-CATALYZED PROCESS FOR PREPARING N-ACYL AMINO ACIDS AND N-ACYL AMINO ACID AMIDES NOVO NORDISK A/S (DK) 1992-03-11 EP disclosed
WO-1990014429-A1 AN ENZYME-CATALYZED PROCESS FOR PREPARING N-ACYL AMINO ACIDS AND N-ACYL AMINO ACID AMIDES NOVO NORDISK A/S (DK) 1990-11-29 WO disclosed