SCHEMBL9664874

SCHEMBL9664874

CCCCCCCCCCCCCCCC(=O)NC(=O)[C@@H](N)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
NOD1 Q9Y239 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
FAAH O00519 1/20 0.46
MAPK1 P28482 1/20 0.46
HSP90AA1 P07900 1/20 0.46
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 7/20 0.46
PPARD Q03181 7/20 0.46
PPARA Q07869 7/20 0.46
HDAC11 Q96DB2 5/20 0.46
TSHR P16473 4/20 0.46
PTPN1 P18031 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46

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
SCHEMBL9664757 1.00 S1PR1 (0.48) S1PR1S1PR3NOD1MEN1KMT2A
SCHEMBL9664231 1.00 S1PR1 (0.48) S1PR1S1PR3NOD1MEN1KMT2A
SCHEMBL9664718 1.00 S1PR1 (0.48) S1PR1S1PR3NOD1MEN1KMT2A
SCHEMBL9664319 0.98 S1PR1 (0.46) S1PR1S1PR3NOD1MEN1KMT2A
SCHEMBL2447062 0.87 FAAH (0.46) NOD1MEN1KMT2AFAAHMAPK1
SCHEMBL9666516 0.86 PLA2G2C (0.59) S1PR1S1PR3NOD1MEN1KMT2A
SCHEMBL9666548 0.86 PLA2G2C (0.59) S1PR1S1PR3NOD1MEN1KMT2A
SCHEMBL9666575 0.86 PLA2G2C (0.59) S1PR1S1PR3NOD1MEN1KMT2A
SCHEMBL6720392 0.86 PLA2G2C (0.59) S1PR1S1PR3NOD1MEN1KMT2A
SCHEMBL9664672 0.84 PLA2G2C (0.56) S1PR1S1PR3NOD1MEN1KMT2A

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