SCHEMBL13864149

SCHEMBL13864149

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

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.58
CTRB1 P17538 2/20 0.54
CTSK P43235 7/20 0.54
ATM Q13315 1/20 0.51
CTSS P25774 5/20 0.51
CTSL P07711 4/20 0.51
CTSB P07858 3/20 0.51
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
ELANE P08246 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL13074183 0.88 CTSK (0.64) SYKCTRB1CTSKATMCTSS
SCHEMBL14595271 0.88 CTSK (0.64) SYKCTRB1CTSKATMCTSS
SCHEMBL11528148 0.88 SYK (0.64) SYKCTRB1CTSKATMCTSS
SCHEMBL2636259 0.88 SYK (0.64) SYKCTRB1CTSKATMCTSS
SCHEMBL213314 0.88 SYK (0.64) SYKCTRB1CTSKATMCTSS
SCHEMBL12220545 0.86 SYK (0.69) SYKCTRB1CTSKATMCTSS
Acetic Acid SCHEMBL9810154 0.85 SYK (0.62) SYKCTRB1CTSKATMCTSS
SCHEMBL1200913 0.83 SYK (0.54) SYKCTRB1CTSKATMCTSS
SCHEMBL2723504 0.82 CTSK (0.62) CTRB1CTSKATMCTSSCTSL
SCHEMBL5724608 0.82 CTSK (0.62) CTRB1CTSKATMCTSSCTSL

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-7528264-B2 Hydride reduction process for preparing quinolone intermediates THE PROCTER & GAMBLE COMPANY (US) 2009-05-05 US disclosed