SCHEMBL9666396

SCHEMBL9666396

CCCCCC(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.65
PSMB5 P28074 3/20 0.61
PTPN1 P18031 1/20 0.58
CTSG P08311 1/20 0.55
CMA1 P23946 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
KISS1R Q969F8 1/20 0.54

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
SCHEMBL9664236 0.99 FAAH (0.67) FAAHPSMB5PTPN1HDAC3HDAC4
SCHEMBL9666046 0.99 FAAH (0.67) FAAHPSMB5PTPN1HDAC3HDAC4
SCHEMBL5200203 0.99 FAAH (0.67) FAAHPSMB5PTPN1HDAC3HDAC4
SCHEMBL9664715 0.99 FAAH (0.67) FAAHPSMB5PTPN1HDAC3HDAC4
SCHEMBL9666189 0.99 FAAH (0.67) FAAHPSMB5PTPN1HDAC3HDAC4
SCHEMBL5200201 0.99 FAAH (0.67) FAAHPSMB5PTPN1HDAC3HDAC4
SCHEMBL3147995 0.96 PSMB5 (0.60) FAAHPSMB5PTPN1CTSGCMA1
SCHEMBL23210005 0.92 FAAH (0.76) FAAHPSMB5PTPN1HDAC3HDAC4
SCHEMBL18797414 0.92 FAAH (0.76) FAAHPSMB5PTPN1HDAC3HDAC4
SCHEMBL8258217 0.90 PSMB5 (0.58) FAAHPSMB5ITGB3ITGA2B

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