SCHEMBL11306282

SCHEMBL11306282

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.43
TPSAB1 Q15661 1/20 0.43
CACNA1H O95180 1/20 0.43
LGMN Q99538 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
CTSK P43235 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
MME P08473 1/20 0.40
ECE1 P42892 1/20 0.40
ELANE P08246 1/20 0.39
CYP1A2 P05177 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
SCHEMBL11307649 0.99 LGMN (0.43) PRSS1TPSAB1CACNA1HLGMNMEN1
SCHEMBL11298770 0.93 CPA1 (0.41) PRSS1TPSAB1CACNA1HLGMNCTSK
SCHEMBL11298733 0.93 PRSS1 (0.44) PRSS1TPSAB1CACNA1HLGMNMEN1
SCHEMBL11299562 0.92 REN (0.44) CACNA1HCTSKCTSLCTSSMME
SCHEMBL11304447 0.91 CACNA1H (0.41) PRSS1TPSAB1CACNA1HLGMNCTSK
SCHEMBL11304064 0.90 CTSK (0.43) CACNA1HLGMNCTSKCTSLCTSS
SCHEMBL11304059 0.89 PRSS1 (0.43) PRSS1TPSAB1CACNA1HLGMNCTSB
SCHEMBL11297063 0.88 OPRD1 (0.47) CTSKCTSLCTSBCTSSMME
SCHEMBL11304459 0.87 MEN1 (0.40) LGMNMEN1KMT2AMMEECE1
SCHEMBL11298478 0.87 POLB (0.42) CACNA1HCTSKCTSLCTSBMME

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