SCHEMBL11298770

SCHEMBL11298770

C[C@H](NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)P(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.41
CPA2 P48052 1/20 0.41
CPA4 Q9UI42 1/20 0.41
REN P00797 1/20 0.40
CACNA1H O95180 1/20 0.39
PRSS1 P07477 1/20 0.39
TPSAB1 Q15661 1/20 0.39
LGMN Q99538 1/20 0.38
CTSK P43235 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL11304447 0.96 CACNA1H (0.41) CPA1CPA2CPA4CACNA1HPRSS1
SCHEMBL11306282 0.93 PRSS1 (0.43) CACNA1HPRSS1TPSAB1LGMNCTSK
SCHEMBL11307649 0.92 LGMN (0.43) CACNA1HPRSS1TPSAB1LGMNCTSB
SCHEMBL11299562 0.91 REN (0.44) RENCACNA1HCTSK
SCHEMBL11304064 0.87 CTSK (0.43) RENCACNA1HLGMNCTSK
SCHEMBL11298733 0.87 PRSS1 (0.44) CACNA1HPRSS1TPSAB1LGMNCTSB
SCHEMBL11305172 0.86 CTSK (0.46) RENCACNA1HPRSS1TPSAB1CTSK
SCHEMBL11297063 0.85 OPRD1 (0.47) CPA1CPA2CPA4RENCTSK
SCHEMBL11298478 0.85 POLB (0.42) RENCACNA1HCTSKCTSB
SCHEMBL11306806 0.84 REN (0.40) RENCACNA1HCTSB

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