SCHEMBL2012819

SCHEMBL2012819

CC(C)c1ccc(C(C(N)=O)C2NCC(C)(C)OC2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 2/20 0.32
KIF11 P52732 1/20 0.31
LMNA P02545 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30

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
SCHEMBL2038718 0.74 LMNA (0.33) POLBTP53ALDH1A1SMN1; SMN2MAPT
SCHEMBL2012604 0.71 FKBP1A (0.32) HTTPOLBTP53ALDH1A1SMN1; SMN2
SCHEMBL2016596 0.71 SMN1; SMN2 (0.33) POLBTP53ALDH1A1SMN1; SMN2MAPT
SCHEMBL2015146 0.69 MAPT (0.48) HPGDTP53ALDH1A1SMN1; SMN2MAPT
SCHEMBL2013111 0.61 KDM4E (0.35) POLBALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL10112658 0.60 SLC6A2 (0.41) HPGDALDH1A1SMN1; SMN2HSD11B1
SCHEMBL22499881 0.60 EPHX2 (0.41) HTTHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL5442325 0.60 KIF11 (0.38) HTTPOLBALDH1A1SMN1; SMN2KIF11
SCHEMBL22499927 0.58 EPHX2 (0.40) HTTALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL11213786 0.57 KIF11 (0.48) HTTALDH1A1SMN1; SMN2MAPTKIF11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513069-A1 ANTIFUNGAL COMPOUNDS Katholieke Universiteit Leuven (BE) 2012-10-24 EP disclosed
WO-2011072345-A1 ANTIFUNGAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-06-23 WO disclosed