SCHEMBL6827741

SCHEMBL6827741

C[C@H](CNC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)N(CCC1CCCC1)CC(=O)NO

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.40
USP30 Q70CQ3 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6822115 1.00 RAB9A (0.41) RAB9ANPC1USP30ALDH1A1LMNA
SCHEMBL6822351 0.93 LMNA (0.40) RAB9ANPC1ALDH1A1LMNAGAA
SCHEMBL6827866 0.93 LMNA (0.40) RAB9ANPC1ALDH1A1LMNAGAA
SCHEMBL6827787 0.91 RAB9A (0.43) RAB9ANPC1USP30ALDH1A1LMNA
SCHEMBL6825512 0.91 RAB9A (0.43) RAB9ANPC1USP30ALDH1A1LMNA
SCHEMBL6825333 0.90 RAB9A (0.41) RAB9ANPC1USP30ALDH1A1LMNA
SCHEMBL6825678 0.90 TAS1R3 (0.42) RAB9ANPC1ALDH1A1
SCHEMBL6825285 0.89 ALDH1A1 (0.52) ALDH1A1LMNAGAATSHRKMT2A
SCHEMBL6822418 0.89 ALDH1A1 (0.52) ALDH1A1LMNAGAATSHRKMT2A
SCHEMBL6825195 0.86 RAB9A (0.40) RAB9ANPC1ALDH1A1LMNAKMT2A

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