SCHEMBL21114870

SCHEMBL21114870

O=C(NC(CC1CCCCC1)C(=O)NC(C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)OCc1cccc(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.67
CAPN1 P07384 1/20 0.67
CTSB P07858 2/20 0.57
CTSS P25774 1/20 0.57
CTSK P43235 1/20 0.57
CTSF Q9UBX1 1/20 0.57

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
SCHEMBL21114867 1.00 CTSL (0.67) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL23149291 1.00 CTSL (0.67) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL30205451 0.93 CTSL (0.67) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL21114877 0.92 CTSL (0.66) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL21114876 0.92 CTSL (0.66) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL21114878 0.92 CTSL (0.66) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL21114871 0.91 CTSL (0.79) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL23149334 0.91 CTSL (0.79) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL21114868 0.91 CTSL (0.79) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL19817124 0.90 CTSL (0.58) CTSLCAPN1CTSBCTSSCTSK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230279513-A1 METHODS FOR DETECTING NOROVIRUS QUEST DIAGNOSTICS INVESTMENTS LLC (US) 2023-09-07 US disclosed
US-11555223-B2 Methods for detecting Norovirus QUEST DIAGNOSTICS INVESTMENTS LLC (US) 2023-01-17 US disclosed
US-20210095352-A1 METHODS FOR DETECTING NOROVIRUS QUEST DIAGNOSTICS INVESTMENTS LLC (US) 2021-04-01 US disclosed
US-10793924-B2 Methods for detecting norovirus QUEST DIAGNOSTICS INVESTMENTS LLC (US) 2020-10-06 US disclosed
US-20190211408-A1 METHODS FOR DETECTING NOROVIRUS QUEST DIAGNOSTICS INVESTMENTS LLC (US) 2019-07-11 US disclosed