SCHEMBL6827631

SCHEMBL6827631

CC(C)[C@H](NC(=O)Nc1ccccc1Cl)C(=O)N(CC(=O)NO)CC1CCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.47
TAS1R1 Q7RTX1 3/20 0.47
ANPEP P15144 1/20 0.46
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 4/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
EPHX2 P34913 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 2/20 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
SCHEMBL6825493 0.98 TAS1R3 (0.50) TAS1R3TAS1R1ANPEPNPC1RAB9A
SCHEMBL6825361 0.89 ALDH1A1 (0.41) TAS1R3TAS1R1ALDH1A1POLBMAPK1
SCHEMBL6825325 0.89 MAPK1 (0.43) TAS1R3TAS1R1NPC1RAB9AALDH1A1
SCHEMBL6825677 0.89 TAS1R3 (0.48) TAS1R3TAS1R1ANPEPNPC1RAB9A
SCHEMBL6824628 0.89 ALDH1A1 (0.44) TAS1R3TAS1R1NPC1RAB9AALDH1A1
SCHEMBL6827632 0.88 TAS1R3 (0.44) TAS1R3TAS1R1ANPEPNPC1RAB9A
SCHEMBL6822364 0.87 ANPEP (0.48) TAS1R3TAS1R1ANPEPALDH1A1SMN1; SMN2
SCHEMBL6822382 0.87 ALDH1A1 (0.41) TAS1R3TAS1R1RAB9AALDH1A1POLB
SCHEMBL6825505 0.87 RAB9A (0.44) TAS1R3TAS1R1NPC1RAB9AALDH1A1
SCHEMBL6822309 0.86 TAS1R3 (0.47) TAS1R3TAS1R1ANPEPNPC1RAB9A

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