SCHEMBL11303147

SCHEMBL11303147

CCC[C@H](NC(=O)CNC(=O)CNC)C(=O)N[C@@H](C)P(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 5/20 0.33
S1PR1 P21453 5/20 0.33
S1PR3 Q99500 5/20 0.33
S1PR4 O95977 4/20 0.33
MMP1 P03956 1/20 0.32
PSMB5 P28074 4/20 0.32
FDPS P14324 1/20 0.31
FPR2 P25090 2/20 0.31
LPAR3 Q9UBY5 2/20 0.30
METAP1 P53582 1/20 0.30
LPAR1 Q92633 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
CCR2 P41597 1/20 0.30

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
SCHEMBL11306079 0.99 MMP1 (0.34) S1PR2S1PR1S1PR3S1PR4MMP1
SCHEMBL11300971 0.93 S1PR2 (0.36) S1PR2S1PR1S1PR3S1PR4MMP1
SCHEMBL11298731 0.90 S1PR2 (0.33) S1PR2S1PR1S1PR3S1PR4FDPS
SCHEMBL11302281 0.87 REN (0.34) S1PR2S1PR1S1PR3S1PR4MMP1
SCHEMBL11296863 0.85 ENPEP (0.34) S1PR2S1PR1S1PR3S1PR4MMP1
SCHEMBL11304056 0.84 ENPEP (0.35) S1PR2S1PR1S1PR3S1PR4METAP1
SCHEMBL11304426 0.82 NPY4R (0.41)
SCHEMBL11306209 0.82 NPY4R (0.41)
SCHEMBL11298154 0.82 PSMB5 (0.31) PSMB5
SCHEMBL11298162 0.81 FPR2 (0.38) S1PR2S1PR1S1PR3S1PR4MMP1

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