SCHEMBL11287690

SCHEMBL11287690

CC=CCOC(=O)Nc1cc(Cl)c(OCC)c(OCC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 5/20 0.45
RORC P51449 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
PKM P14618 1/20 0.38
GAA P10253 2/20 0.37
MCL1 Q07820 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 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
SCHEMBL10751671 0.87 MEN1 (0.48) HTTLMNAALDH1A1RORCL3MBTL1
SCHEMBL10755429 0.86 LMNA (0.54) HTTLMNAALDH1A1RORCL3MBTL1
SCHEMBL11120489 0.85 KDM4E (0.37) LMNAALDH1A1RORCL3MBTL1MEN1
SCHEMBL10757910 0.82 HTT (0.55) HTTLMNAALDH1A1RORCL3MBTL1
SCHEMBL11284651 0.81 KDM4E (0.43) HTTLMNAALDH1A1MEN1KMT2A
SCHEMBL10755905 0.80 HTT (0.47) HTTLMNAALDH1A1RORCL3MBTL1
SCHEMBL10760353 0.78 LMNA (0.56) HTTLMNAALDH1A1RORCL3MBTL1
SCHEMBL10756968 0.78 KMT2A (0.52) HTTLMNAALDH1A1RORCL3MBTL1
SCHEMBL10756684 0.78 HTT (0.49) HTTLMNAALDH1A1RORCL3MBTL1
SCHEMBL3114751 0.78 KDM4E (0.54) HTTLMNAALDH1A1RORCL3MBTL1

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
EP-0063905-A1 Fungicidal N-phenylcarbamates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-11-03 EP disclosed