SCHEMBL4430001

SCHEMBL4430001

CC(C)(C)C(NC(=O)O)C(Cc1ccccc1)NC(=O)c1ccc(O)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.41
CTSD P07339 4/20 0.39
BACE1 P56817 3/20 0.39
BACE2 Q9Y5Z0 3/20 0.39
PDK1 Q15118 3/20 0.38
PDK2 Q15119 3/20 0.38
PDK3 Q15120 3/20 0.38
PDK4 Q16654 3/20 0.38
CCR1 P32246 1/20 0.38
EPHX2 P34913 3/20 0.38
PPARG P37231 3/20 0.38
HSP90AA1 P07900 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PIN1 Q13526 1/20 0.38
HPGDS O60760 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL4553029 0.81 TRPM8 (0.41) TRPM8PPARG
SCHEMBL3330752 0.76 HDAC4 (0.46) TRPM8PDK1PDK2PDK3PDK4
SCHEMBL4582450 0.74 CTRB1 (0.38) CCR1HSP90AA1HPGDSNPC1RAB9A
SCHEMBL4581842 0.74 ALDH1A1 (0.40) CCR1HSP90AA1NPC1RAB9A
SCHEMBL13300015 0.74 ATM (0.50) TRPM8PIN1
SCHEMBL4583485 0.73 ALDH1A1 (0.47) CCR1HPGDSNPC1RAB9A
SCHEMBL4374524 0.73 ALDH1A1 (0.47) CCR1HPGDSNPC1RAB9A
SCHEMBL4377299 0.73 NPC1 (0.45) BACE1NPC1RAB9A
SCHEMBL4378512 0.72 AKT1 (0.40) CCR1PIN1
SCHEMBL4375386 0.72 ACKR3 (0.43) NPC1RAB9A

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
EP-2134175-A1 INHIBITORS OF AKT ACTIVITY Smithkline Beecham Corporation (US) 2009-12-23 EP disclosed
WO-2008121786-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO disclosed