SCHEMBL6169481

SCHEMBL6169481

CC[C@H](CO)CC(CO)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.42
CTSS P25774 6/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
SYK P43405 1/20 0.39
ATM Q13315 1/20 0.38
CYP2D6 P10635 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL6483144 1.00 CTSK (0.42) CTSKCTSSCA1CA2CA7
SCHEMBL6483146 1.00 CTSK (0.42) CTSKCTSSCA1CA2CA7
SCHEMBL102361 0.84 CTSK (0.47) CTSKCTSSCA1CA2CA7
SCHEMBL1809284 0.84 CTSK (0.47) CTSKCTSSCA1CA2CA7
SCHEMBL1809285 0.84 CTSK (0.47) CTSKCTSSCA1CA2CA7
SCHEMBL29323075 0.84 CA1 (0.45) CTSKCTSSCA1CA2CA7
SCHEMBL5025247 0.83 SYK (0.43) CTSKCTSSCA1CA2CA7
SCHEMBL2861782 0.82 CA1 (0.52) CTSKCTSSCA1CA2CA7
SCHEMBL8080135 0.82 CTSK (0.40) CTSKCTSSCA1CA2CA7
SCHEMBL8085801 0.82 CTSK (0.40) CTSKCTSSCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1671690-A Antimicrobial azabicyclic derivatives, compositions and uses thereof PROCTER & GAMBLE (US) 2005-09-21 CN disclosed
EP-1532137-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2005-05-25 EP disclosed
WO-2004014893-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2004-02-19 WO disclosed