SCHEMBL8199206

SCHEMBL8199206

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.61
CTRC Q99895 5/20 0.58
CTSL P07711 2/20 0.57
CTSS P25774 2/20 0.57
CTSB P07858 1/20 0.57
CTSK P43235 1/20 0.57
ATM Q13315 1/20 0.55

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
SCHEMBL14728306 0.88 CTSL (0.58) ELANECTSLCTSSCTSBCTSK
SCHEMBL7283767 0.87 ELANE (0.53) ELANECTRCCTSLCTSSCTSB
SCHEMBL1908598 0.86 CTSK (0.62) ELANECTSLCTSSCTSBCTSK
SCHEMBL8492203 0.86 CTSD (0.54) ELANECTRCCTSLCTSSCTSB
SCHEMBL5338870 0.85 CTSL (0.60) ELANECTSLCTSSCTSBCTSK
SCHEMBL5120950 0.85 CTSL (0.60) ELANECTSLCTSSCTSBCTSK
SCHEMBL8671882 0.84 CTSL (0.63) ELANECTSLCTSSCTSBCTSK
SCHEMBL220569 0.84 CTSL (0.63) ELANECTSLCTSSCTSBCTSK
SCHEMBL1287168 0.84 CTSL (0.63) ELANECTSLCTSSCTSBCTSK
SCHEMBL2978398 0.84 CTSL (0.63) ELANECTSLCTSSCTSBCTSK

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-6043278-A FORMULATION COMPRISING MIXTURE OF BETA-LACTAM ANTIBIOTIC AND PERFLUOROLOWERALKYL DERIVATIVE OF AMINO ACID ISIS INNOVATION LIMITED (GB) 2000-03-28 US disclosed