SCHEMBL6825851

SCHEMBL6825851

CC(C)(C)[C@H](NC(=O)Nc1ccccc1Cl)C(=O)N(CCC1CCCC1)CC(=O)NO

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.46
TAS1R1 Q7RTX1 3/20 0.46
ANPEP P15144 1/20 0.42
MMP2 P08253 6/20 0.40
MMP3 P08254 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
BMP1 P13497 1/20 0.40
POLB P06746 1/20 0.38
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
CYP2C19 P33261 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
SCHEMBL6822309 0.92 TAS1R3 (0.47) TAS1R3TAS1R1ANPEPMMP2MMP3
SCHEMBL6827632 0.90 TAS1R3 (0.44) TAS1R3TAS1R1ANPEPMMP2MMP3
SCHEMBL6825262 0.89 RAB9A (0.43) TAS1R3TAS1R1MMP2MMP3NPC1
SCHEMBL6825367 0.89 CYP2C19 (0.37) MMP2MMP3BMP1POLBCYP2C19
SCHEMBL6825677 0.89 TAS1R3 (0.48) TAS1R3TAS1R1ANPEPMMP2MMP3
SCHEMBL6822303 0.88 TDP1 (0.47) TAS1R3TAS1R1ANPEPMMP2MMP3
SCHEMBL6825244 0.85 MEN1 (0.41) TAS1R3TAS1R1MMP2MMP3NPC1
SCHEMBL6825246 0.84 EPHX2 (0.47) MMP2NPC1RAB9APOLBCYP2C19
SCHEMBL6825780 0.83 HDAC1 (0.45) POLB
SCHEMBL6825483 0.83 SMN1; SMN2 (0.38) MMP3NPC1RAB9APOLB

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 disclosed