SCHEMBL6824826

SCHEMBL6824826

CC(C)(C)[C@H](NC(=O)Nc1ccc(Cl)cc1Cl)C(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.41
MAPK1 P28482 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
RORC P51449 1/20 0.36
USP30 Q70CQ3 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ATM Q13315 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
JAK3 P52333 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
SCHEMBL6822110 0.98 RAB9A (0.41) RAB9ANPC1MAPK1TAS1R3TAS1R1
SCHEMBL6825256 0.93 CYP2C19 (0.38) RAB9ATAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL6825262 0.92 RAB9A (0.43) RAB9ANPC1MAPK1TAS1R3TAS1R1
SCHEMBL6825910 0.91 MEN1 (0.37) RAB9AALDH1A1LMNAGAATSHR
SCHEMBL6822309 0.89 TAS1R3 (0.47) RAB9ANPC1TAS1R3TAS1R1
SCHEMBL6825069 0.89 PDK1 (0.39) MAPK1RORCALDH1A1MAPT
SCHEMBL6825505 0.88 RAB9A (0.44) RAB9ANPC1MAPK1TAS1R3TAS1R1
SCHEMBL6825396 0.88 KMT2A (0.51) ALDH1A1LMNAGAATSHRMAPT
SCHEMBL6827632 0.87 TAS1R3 (0.44) RAB9ANPC1TAS1R3TAS1R1LMNA
SCHEMBL6825325 0.86 MAPK1 (0.43) RAB9ANPC1MAPK1TAS1R3TAS1R1

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