SCHEMBL11299593

SCHEMBL11299593

CCCCCCNCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 8/20 0.44
S1PR1 P21453 8/20 0.44
S1PR3 Q99500 8/20 0.44
S1PR4 O95977 5/20 0.44
S1PR5 Q9H228 2/20 0.44
ANPEP P15144 1/20 0.43
ERAP2 Q6P179 1/20 0.43
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
LPAR3 Q9UBY5 2/20 0.38
EPHX1 P07099 1/20 0.37
FAAH O00519 3/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35

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
SCHEMBL11297720 0.89 ANPEP (0.38) ANPEPFNTAFNTB
SCHEMBL11301401 0.83 MMP1 (0.32) ANPEP
SCHEMBL20521898 0.77 FAAH (0.56) EPHX1FAAHMEN1MAPK1KMT2A
SCHEMBL11296860 0.77 ANPEP (0.32) ANPEP
SCHEMBL11306049 0.76 KDM4E (0.32)
SCHEMBL11303958 0.73
SCHEMBL1582657 0.72 CTSC (0.40) ANPEP
SCHEMBL11298100 0.72 MEN1 (0.44) ANPEPMEN1KMT2AGAA
SCHEMBL11303917 0.71 DPP7 (0.34) ANPEPERAP2
SCHEMBL11298731 0.71 S1PR2 (0.33) S1PR2S1PR1S1PR3S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4250085-A PHOSPHONATE-CONTAINING OLIGOPEPTIDES, BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1981-02-10 US disclosed