SCHEMBL6827642

SCHEMBL6827642

CC(C)(CNC(=O)Nc1ccccc1Cl)CC(=O)N(CC(=O)NO)CC1CCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TAS1R3 Q7RTX0 3/20 0.38
TAS1R1 Q7RTX1 3/20 0.38
POLB P06746 1/20 0.38
EPHX2 P34913 1/20 0.37
ANPEP P15144 1/20 0.36
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
CASR P41180 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6822311 0.98 NPC1 (0.40) NPC1RAB9ATAS1R3TAS1R1POLB
SCHEMBL6825617 0.90 NPC1 (0.42) NPC1RAB9AEPHX2
SCHEMBL6824982 0.89 RAB9A (0.41) NPC1RAB9A
SCHEMBL6825911 0.89 TP53 (0.38) RAB9APOLB
SCHEMBL7069107 0.88 HDAC1 (0.37) NPC1RAB9ATAS1R3TAS1R1
SCHEMBL7064899 0.88 OPRM1 (0.39) NPC1RAB9A
SCHEMBL6825485 0.88 RAB9A (0.43) NPC1RAB9A
SCHEMBL6825386 0.88 TP53 (0.38) RAB9APOLB
SCHEMBL6822283 0.88 TDP1 (0.43) TAS1R3TAS1R1L3MBTL1
SCHEMBL6825944 0.87 KMT2A (0.43) NPC1RAB9APOLB

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
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO claimed