SCHEMBL23966258

SCHEMBL23966258

Cc1cccc(COC(=O)N[C@H](C(=O)O)C(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
CTSL P07711 5/20 0.50
CTSS P25774 4/20 0.50
CTSK P43235 4/20 0.50
CTSB P07858 3/20 0.50
ECE1 P42892 2/20 0.50
MME P08473 1/20 0.50
TYR P14679 1/20 0.49
CA1 P00915 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ELANE P08246 2/20 0.46
PRTN3 P24158 1/20 0.46

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
SCHEMBL15601856 0.86 POLB (0.55) POLBCTSLCTSSCTSKCTSB
SCHEMBL8671882 0.86 CTSL (0.63) CTSLCTSSCTSKCTSBECE1
SCHEMBL2978398 0.86 CTSL (0.63) CTSLCTSSCTSKCTSBECE1
SCHEMBL1287168 0.86 CTSL (0.63) CTSLCTSSCTSKCTSBECE1
SCHEMBL220569 0.86 CTSL (0.63) CTSLCTSSCTSKCTSBECE1
SCHEMBL6150431 0.86 ADAMTS4 (0.53) CTSLCTSSCTSKCTSBECE1
SCHEMBL6148841 0.86 ADAMTS4 (0.53) CTSLCTSSCTSKCTSBECE1
SCHEMBL8604954 0.83 CTSL (0.51) CTSLCTSSCTSKCTSBECE1
SCHEMBL19607509 0.83 CTSL (0.55) CTSLCTSSCTSKCTSBECE1
Isopropylamine SCHEMBL10558459 0.82 CTSL (0.59) CTSLCTSSCTSKCTSBECE1

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
EP-3083619-B1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES LLC (US) 2021-11-03 EP disclosed