SCHEMBL1007352

SCHEMBL1007352

COC(=O)c1cc2c(n1C(=O)O)CC(Cc1ccccc1)C2=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.42
ABCB1 P08183 2/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
HDAC1 Q13547 1/20 0.38
CYP19A1 P11511 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOB P27338 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL1056066 0.88 KLK7 (0.39) ACHEABCB1PSEN1PSEN2APH1B
SCHEMBL1006400 0.77 ACHE (0.38) ACHEMAPT
SCHEMBL1004076 0.73 ACHE (0.43) ACHECYP19A1KMT2AMAOB
SCHEMBL1065113 0.68 HDAC1 (0.61) ACHEHDAC1CYP19A1
SCHEMBL1004591 0.67 ALDH1A1 (0.37) TSHR
SCHEMBL24362751 0.67 CYP26A1 (0.49) CYP19A1
SCHEMBL16194380 0.67 CYP19A1 (0.49) ABCB1HDAC1CYP19A1MEN1TSHR
SCHEMBL15700137 0.66 ACHE (0.80) ACHE
SCHEMBL1007354 0.66 FKBP1A (0.39) ACHEPSEN1PSEN2APH1BNCSTN
SCHEMBL30667087 0.65 CYP19A1 (0.62) ACHECYP19A1MEN1TSHRKMT2A

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
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed