SCHEMBL328387

SCHEMBL328387

COc1cccc(Oc2ccc(F)cc2F)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.54
TRPA1 O75762 4/20 0.52
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAOB P27338 2/20 0.49
NFE2L2 Q16236 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HSPB1 P04792 2/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL779089 0.85 ACHE (0.53) MAPK14KDM4EMAPTL3MBTL1POLB
SCHEMBL9339651 0.84 HSPB1 (0.58) MAPK14TRPA1L3MBTL1POLBNFE2L2
SCHEMBL31120710 0.83 L3MBTL1 (0.67) KDM4EMAPTL3MBTL1POLBNPSR1
SCHEMBL14959583 0.83 MAPT (0.48) MAPK14KDM4EMAPTL3MBTL1POLB
SCHEMBL27115312 0.83 ALDH1A1 (0.56) MAPK14TRPA1L3MBTL1HSPB1LMNA
SCHEMBL11989286 0.81 MAPT (0.56) MAPK14KDM4EMAPTL3MBTL1POLB
SCHEMBL14471077 0.81 L3MBTL1 (0.46) MAPK14TRPA1KDM4EMAPTL3MBTL1
SCHEMBL11990101 0.81 MAOB (0.48) KDM4EMAPTL3MBTL1POLBNPSR1
SCHEMBL28014098 0.80 TRPA1 (0.52) MAPK14TRPA1L3MBTL1NFE2L2SMN1; SMN2
SCHEMBL4016806 0.80 TTR (0.56) KDM4EMAPTL3MBTL1POLBNPSR1

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-2428509-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-03-14 EP disclosed