Butylbenzyl

Butylbenzyl

SCHEMBL8487457

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H]1CO1.CCCCc1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.50
ATM Q13315 1/20 0.47
CTSS P25774 3/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ACE P12821 1/20 0.43
KLK7 P49862 1/20 0.42
KLK5 Q9Y337 1/20 0.42

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
Butylbenzyl SCHEMBL8490527 1.00 CTSK (0.50) CTSKATMCTSSCTSLCTSB
SCHEMBL4974304 0.91 ATM (0.54) CTSKATMCTSSCTSLCTSB
SCHEMBL639229 0.91 ATM (0.54) CTSKATMCTSSCTSLCTSB
SCHEMBL2983027 0.91 ATM (0.54) CTSKATMCTSSCTSLCTSB
SCHEMBL5865405 0.91 ATM (0.54) CTSKATMCTSSCTSLCTSB
SCHEMBL1104909 0.91 ATM (0.54) CTSKATMCTSSCTSLCTSB
SCHEMBL2079109 0.91 ATM (0.54) CTSKATMCTSSCTSLCTSB
SCHEMBL7438571 0.91 ATM (0.54) CTSKATMCTSSCTSLCTSB
SCHEMBL496136 0.91 ATM (0.54) CTSKATMCTSSCTSLCTSB
SCHEMBL2983024 0.91 ATM (0.54) CTSKATMCTSSCTSLCTSB

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-5936104-A Process for producing 1,2-epoxy-3-amino-4-phenylbutane derivatives KANEKA CORPORATION (JP) 1999-08-10 US disclosed