SCHEMBL6822309

SCHEMBL6822309

CC(C)(C)[C@H](NC(=O)Nc1ccccc1Cl)C(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.47
TAS1R1 Q7RTX1 3/20 0.47
ANPEP P15144 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MMP2 P08253 6/20 0.39
MMP3 P08254 3/20 0.39
BMP1 P13497 1/20 0.39
POLB P06746 1/20 0.38
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL6827632 0.98 TAS1R3 (0.44) TAS1R3TAS1R1ANPEPNPC1RAB9A
SCHEMBL6825244 0.93 MEN1 (0.41) TAS1R3TAS1R1NPC1RAB9AMMP2
SCHEMBL6825851 0.92 TAS1R3 (0.46) TAS1R3TAS1R1ANPEPNPC1RAB9A
SCHEMBL6923278 0.90 TAS1R3 (0.38) TAS1R3TAS1R1ANPEPNPC1RAB9A
SCHEMBL6824826 0.89 RAB9A (0.43) TAS1R3TAS1R1NPC1RAB9A
SCHEMBL6825256 0.89 CYP2C19 (0.38) TAS1R3TAS1R1RAB9APOLBCYP2C19
SCHEMBL6822301 0.89 ALDH1A1 (0.46) TAS1R3TAS1R1NPC1RAB9AMMP2
SCHEMBL6825963 0.89 ALDH1A1 (0.46) TAS1R3TAS1R1NPC1RAB9AMMP2
SCHEMBL6825943 0.89 KMT2A (0.44) TAS1R3TAS1R1NPC1RAB9AMMP2
SCHEMBL6825435 0.88 NPC1 (0.43) ANPEPNPC1RAB9AMMP2MMP3

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