SCHEMBL6822316

SCHEMBL6822316

C[C@@H](CCC(=O)N(CC(=O)NO)CC1CCCC1)CNC(=O)Nc1cc(Cl)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 4/20 0.37
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 3/20 0.35
POLB P06746 2/20 0.35
PANK3 Q9H999 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL6822383 0.91 LMNA (0.41) LMNAALDH1A1GAATSHRTRPV1
SCHEMBL6825616 0.91 LMNA (0.41) LMNAALDH1A1GAATSHRTRPV1
SCHEMBL6825381 0.90 TRPV1 (0.40) LMNAALDH1A1GAATSHRTRPV1
SCHEMBL6824964 0.86 TRPV1 (0.42) LMNAALDH1A1GAATSHRTRPV1
SCHEMBL6825512 0.84 RAB9A (0.43) LMNAALDH1A1GAATSHRMAPT
SCHEMBL6827787 0.84 RAB9A (0.43) LMNAALDH1A1GAATSHRMAPT
SCHEMBL6822351 0.83 LMNA (0.40) LMNAALDH1A1GAATSHRTRPV1
SCHEMBL6827866 0.83 LMNA (0.40) LMNAALDH1A1GAATSHRTRPV1
SCHEMBL6825333 0.83 RAB9A (0.41) LMNAALDH1A1GAATSHRMAPT
SCHEMBL6825843 0.82 ALDH1A1 (0.53) LMNAALDH1A1GAATSHRTP53

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