SCHEMBL21114820

SCHEMBL21114820

CCOP(=O)(OCC)C(O)C(C[C@@H]1CCNC1=O)NC(=O)C(CC1CCCCC1)NC(=O)OCc1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.55
CTSB P07858 4/20 0.55
CAPN1 P07384 1/20 0.49
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
CTSF Q9UBX1 1/20 0.48

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
SCHEMBL21114818 1.00 CTSL (0.55) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL21114778 0.92 CTSL (0.55) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL21114777 0.92 CTSL (0.55) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL21114843 0.84 CTSL (0.52) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL30205454 0.84 CTSL (0.52) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL21114844 0.84 CTSL (0.52) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL21114828 0.84 CTSL (0.67) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL25519298 0.82 CTSL (0.55) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL19668598 0.82 CTSL (0.60) CTSLCTSBCAPN1CTSSCTSK
SCHEMBL23149336 0.82 CTSL (0.46) CTSLCTSBCAPN1CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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