SCHEMBL11298100

SCHEMBL11298100

C[C@H](NC(=O)CNCc1ccccc1)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 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 1/20 0.44
ANPEP P15144 1/20 0.44
MMP8 P22894 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 4/20 0.41
CASP1 P29466 1/20 0.40
RECQL P46063 1/20 0.40
POLB P06746 1/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
ACP3 P15309 1/20 0.39

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
SCHEMBL11304802 0.82 MMP3 (0.40) MEN1CYP1A2KMT2AMMP8ALDH1A1
SCHEMBL11307373 0.80 CCR6 (0.39) MEN1KMT2AMMP8OPRK1
SCHEMBL30074492 0.79 ACE (0.50) MEN1KMT2AMMP8ALDH1A1MAPT
SCHEMBL11301401 0.78 MMP1 (0.32) ANPEPMMP1MMP3
SCHEMBL1582649 0.77 OPRD1 (0.52) ANPEPOPRK1
SCHEMBL10355961 0.76 ALDH1A1 (0.51) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL11305760 0.76 CTSK (0.56) CYP1A2
SCHEMBL11297720 0.76 ANPEP (0.38) ANPEPMMP1MMP3
SCHEMBL11307359 0.75 MMP3 (0.41) MMP3
SCHEMBL11296860 0.75 ANPEP (0.32) ANPEPALDH1A1MMP1MMP3

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