SCHEMBL6824838

SCHEMBL6824838

COc1cc(Cl)c(C)cc1NC(=O)NC[C@@H](C)CC(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 4/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
RAF1 P04049 1/20 0.37

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
SCHEMBL6825191 1.00 ALDH1A1 (0.40) ALDH1A1LMNAGAATSHRMAPK1
SCHEMBL6827687 0.98 LMNA (0.40) ALDH1A1LMNAGAATSHRMAPK1
SCHEMBL6825884 0.92 ALDH1A1 (0.39) ALDH1A1LMNAGAATSHRMAPK1
SCHEMBL6824961 0.92 ALDH1A1 (0.39) ALDH1A1LMNAGAATSHRMAPK1
SCHEMBL6825843 0.89 ALDH1A1 (0.53) ALDH1A1LMNAGAATSHRSMN1; SMN2
SCHEMBL6825998 0.89 ALDH1A1 (0.53) ALDH1A1LMNAGAATSHRSMN1; SMN2
SCHEMBL6825902 0.87 ALDH1A1 (0.51) ALDH1A1LMNAGAATSHRSMN1; SMN2
SCHEMBL6825416 0.86 KMT2A (0.41) ALDH1A1LMNAGAATSHRSMN1; SMN2
SCHEMBL6825438 0.86 LMNA (0.41) ALDH1A1LMNAGAAMAPK1SMN1; SMN2
SCHEMBL6822416 0.85 TDP1 (0.46) GAATSHRSMN1; SMN2L3MBTL1KMT2A

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