SCHEMBL27771978

SCHEMBL27771978

O=C(O)c1ccc(CCOC2CCC(N3C(=O)c4ccccc4C3=O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 3/20 0.46
EPHX2 P34913 2/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
SCN2A Q99250 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
CHRNA7 P36544 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GSK3B P49841 1/20 0.39
CSNK2A1 P68400 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 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
SCHEMBL5009462 0.89 L3MBTL1 (0.47) L3MBTL1TSHRCHRNA7KMT2ALMNA
SCHEMBL14010107 0.89 L3MBTL1 (0.47) L3MBTL1TSHRCHRNA7KMT2ALMNA
SCHEMBL5009463 0.89 L3MBTL1 (0.47) L3MBTL1TSHRCHRNA7KMT2ALMNA
SCHEMBL3041762 0.77 L3MBTL1 (0.54) PPARAL3MBTL1TSHRCA12CA9
SCHEMBL3041765 0.77 L3MBTL1 (0.54) PPARAL3MBTL1TSHRCA12CA9
SCHEMBL1422047 0.77 KMT2A (0.49) ALDH1A1KMT2AMEN1
SCHEMBL5007090 0.77 ALDH1A1 (0.52) L3MBTL1TSHRALDH1A1MAPK1CHRNA7
SCHEMBL5007086 0.77 ALDH1A1 (0.52) L3MBTL1TSHRALDH1A1MAPK1CHRNA7
SCHEMBL600925 0.76 L3MBTL1 (0.56) L3MBTL1TSHRALDH1A1MAPK1KMT2A
SCHEMBL600924 0.76 L3MBTL1 (0.56) L3MBTL1TSHRALDH1A1MAPK1KMT2A

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
CN-101448782-A 11beta-hydroxysteroid dehydrogenase type 1 active compounds NOVO NORDISK AS (US) 2009-06-03 CN disclosed