SCHEMBL6822351

SCHEMBL6822351

CC(CNC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)N(CCC1CCCC1)CC(=O)NO

nearest known ligand 0.46

Predicted protein targets (top 17)

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 3/20 0.37
MEN1 O00255 2/20 0.37
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.35
PANK3 Q9H999 1/20 0.35
RAB9A P51151 2/20 0.35
CASR P41180 1/20 0.35
NPC1 O15118 1/20 0.35
MMP3 P08254 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
SCHEMBL6827866 1.00 LMNA (0.40) LMNAALDH1A1GAATSHRTRPV1
SCHEMBL6822115 0.93 RAB9A (0.41) LMNAALDH1A1GAATSHRSMN1; SMN2
SCHEMBL6827741 0.93 RAB9A (0.41) LMNAALDH1A1GAATSHRSMN1; SMN2
SCHEMBL6825616 0.91 LMNA (0.41) LMNAALDH1A1GAATSHRTRPV1
SCHEMBL6822383 0.91 LMNA (0.41) LMNAALDH1A1GAATSHRTRPV1
SCHEMBL6825285 0.90 ALDH1A1 (0.52) LMNAALDH1A1GAATSHRTP53
SCHEMBL6822418 0.90 ALDH1A1 (0.52) LMNAALDH1A1GAATSHRTP53
SCHEMBL6825678 0.90 TAS1R3 (0.42) ALDH1A1CYP2C19POLBRAB9ACASR
SCHEMBL6825381 0.90 TRPV1 (0.40) LMNAALDH1A1GAATSHRTRPV1
SCHEMBL6825887 0.87 OPRL1 (0.41) LMNAALDH1A1TP53MAPTKMT2A

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