SCHEMBL10076917

SCHEMBL10076917

Cc1cccc(C(C)OC(=O)Nc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GRM5 P41594 6/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
LPAR1 Q92633 1/20 0.46
LPAR3 Q9UBY5 1/20 0.46
KLK7 P49862 1/20 0.46
MTOR P42345 1/20 0.46
FAAH O00519 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
KCNK3 O14649 1/20 0.44
POLB P06746 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44

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
SCHEMBL10076815 0.87 KMT2A (0.51) MAPTMEN1KMT2AGRM5HPGD
SCHEMBL28571893 0.86 KLK7 (0.54) MAPTMEN1KMT2AGRM5LPAR1
SCHEMBL28568899 0.86 KLK7 (0.54) MAPTMEN1KMT2AGRM5LPAR1
SCHEMBL8126585 0.84 ALDH1A1 (0.52) MAPTMEN1KMT2AGRM5ALDH1A1
SCHEMBL27539120 0.80 ALDH1A1 (0.51) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL27450197 0.79 HPGD (0.72) MAPTMEN1KMT2AGRM5ALDH1A1
SCHEMBL27449199 0.79 MTOR (0.61) MAPTMEN1KMT2AGRM5HPGD
SCHEMBL27539123 0.78 TSHR (0.60) MAPTMEN1KMT2AALDH1A1KCNK3
SCHEMBL10192111 0.77 ALOX15 (0.69) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL11411034 0.77 HSD17B10 (0.62) MAPTMEN1KMT2AALDH1A1FAAH

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
US-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed