SCHEMBL9652116

SCHEMBL9652116

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

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 5/20 0.68
FAAH O00519 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPK1 P28482 1/20 0.56
SLC6A5 Q9Y345 1/20 0.54
EPHX2 P34913 2/20 0.50
DNM1 Q05193 1/20 0.50
THRB P10828 1/20 0.50
DEGS1 O15121 1/20 0.50
ASAH1 Q13510 1/20 0.50
CETP P11597 1/20 0.50
PLA2G2C Q5R387 1/20 0.50

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
SCHEMBL25172272 1.00 NOD1 (0.68) NOD1FAAHMEN1KMT2AMAPK1
SCHEMBL6138133 1.00 NOD1 (0.68) NOD1FAAHMEN1KMT2AMAPK1
SCHEMBL193476 0.98 NOD1 (0.71) NOD1FAAHMEN1KMT2AMAPK1
SCHEMBL19475767 0.98 NOD1 (0.71) NOD1FAAHMEN1KMT2AMAPK1
SCHEMBL5333001 0.98 NOD1 (0.71) NOD1FAAHMEN1KMT2AMAPK1
SCHEMBL25192010 0.98 NOD1 (0.71) NOD1FAAHMEN1KMT2AMAPK1
SCHEMBL17203784 0.98 NOD1 (0.71) NOD1FAAHMEN1KMT2AMAPK1
SCHEMBL25192009 0.98 NOD1 (0.71) NOD1FAAHMEN1KMT2AMAPK1
SCHEMBL8823490 0.98 NOD1 (0.71) NOD1FAAHMEN1KMT2AMAPK1
SCHEMBL17203900 0.98 NOD1 (0.71) NOD1FAAHMEN1KMT2AMAPK1

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
US-5112863-A N-Acyl Amino Acid Derivative NIPPON OIL & FATS CO., LTD. (JP) 1992-05-12 US claimed
EP-0432039-A2 Antipsychotic drug comprising an acylaminoacid NIPPON OILS & FATS CO., LTD. (JP) 1991-06-12 EP claimed
US-5112863-A N-Acyl Amino Acid Derivative NIPPON OIL & FATS CO., LTD. (JP) 1992-05-12 US disclosed
EP-0432039-A2 Antipsychotic drug comprising an acylaminoacid NIPPON OILS & FATS CO., LTD. (JP) 1991-06-12 EP disclosed