SCHEMBL11298731

SCHEMBL11298731

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

nearest known ligand 0.33

Predicted protein targets (top 7)

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
REN P00797 1/20 0.32
FDPS P14324 1/20 0.31
METAP1 P53582 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
SCHEMBL11302281 0.95 REN (0.34) S1PR2S1PR1S1PR3S1PR4REN
SCHEMBL11300971 0.93 S1PR2 (0.36) S1PR2S1PR1S1PR3S1PR4REN
SCHEMBL11303147 0.90 S1PR2 (0.33) S1PR2S1PR1S1PR3S1PR4FDPS
SCHEMBL11306079 0.88 MMP1 (0.34) S1PR2S1PR1S1PR3S1PR4FDPS
SCHEMBL11299619 0.86 CPA1 (0.34)
SCHEMBL11304618 0.86 CYP2C9 (0.33) METAP1
SCHEMBL11296860 0.86 ANPEP (0.32)
SCHEMBL11296863 0.85 ENPEP (0.34) S1PR2S1PR1S1PR3S1PR4METAP1
SCHEMBL11307612 0.84 ANPEP (0.32)
SCHEMBL11304056 0.84 ENPEP (0.35) S1PR2S1PR1S1PR3S1PR4METAP1

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