SCHEMBL10189480

SCHEMBL10189480

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
CTSK P43235 5/20 0.53
CTSL P07711 4/20 0.53
CTSS P25774 4/20 0.53
CTSB P07858 2/20 0.53
SYK P43405 1/20 0.51
PRTN3 P24158 1/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
CTRB1 P17538 2/20 0.50
ELANE P08246 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL19569920 0.87 POLB (0.61) ATMCTSKCTSLCTSSCTSB
SCHEMBL13572927 0.87 ATM (0.59) ATMCTSKCTSLCTSSCTSB
SCHEMBL6407665 0.87 ATM (0.59) ATMCTSKCTSLCTSSCTSB
SCHEMBL14999596 0.87 ATM (0.59) ATMCTSKCTSLCTSSCTSB
SCHEMBL28741666 0.85 SYK (0.54) ATMCTSKCTSLCTSSCTSB
SCHEMBL19772848 0.84 ATM (0.54) ATMCTSKCTSLCTSSCTSB
SCHEMBL28370653 0.84 CTSL (0.62) ATMCTSKCTSLCTSSCTSB
SCHEMBL18857044 0.84 SMN1; SMN2 (0.62) ATMCTSLMEN1KMT2ACYP3A4
SCHEMBL15414625 0.84 ATM (0.57) ATMCTSKCTSLCTSSCTSB
SCHEMBL938011 0.84 ATM (0.57) ATMCTSKCTSLCTSSCTSB

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
WO-2013122888-A2 METHODS OF TREATING BACTERIAL INFECTIONS REMPEX PHARMACEUTICALS, INC. (US) 2013-08-22 WO disclosed
WO-2012021455-A1 CYCLIC BORONIC ACID ESTER DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed