SCHEMBL2661179

SCHEMBL2661179

COC(=O)c1ccc([C@@H](C)Cc2cccc(OC)c2Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ DPP4 P27487 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL2661178 0.80 L3MBTL1 (0.42) MAPTSMN1; SMN2LMNADPP4ALDH1A1
SCHEMBL27720296 0.76 CA1 (0.50) MAPTSMN1; SMN2DPP4KMT2AALDH1A1
SCHEMBL2667033 0.75 CA1 (0.49) MAPTSMN1; SMN2DPP4KMT2AALDH1A1
SCHEMBL16684851 0.70 L3MBTL1 (0.52) MAPTKMT2AALDH1A1MEN1LOXL2
SCHEMBL14966780 0.70 CA1 (0.52) MAPTDPP4KMT2AALDH1A1GAA
SCHEMBL1791209 0.70 L3MBTL1 (0.52) MAPTKMT2AALDH1A1MEN1LOXL2
SCHEMBL22922695 0.69 GRIA4 (0.55) MAPTKMT2AALDH1A1MEN1LOXL2
SCHEMBL20622459 0.69 TDP1 (0.67) MAPTSMN1; SMN2KMT2AALDH1A1GAA
SCHEMBL31614266 0.69 L3MBTL1 (0.49) MAPTSMN1; SMN2HDAC1KMT2AALDH1A1
SCHEMBL19940311 0.69 MAPT (0.50) MAPTDPP4KMT2AALDH1A1GAA

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-1863755-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES Merck & Co., Inc. (US) 2007-12-12 — — EP disclosed
WO-2006102067-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES MERCK & CO., INC. (US) 2006-09-28 — — WO disclosed
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