SCHEMBL8176629

SCHEMBL8176629

Cc1ccc(-c2ccc(C(=O)O)cc2C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.49
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
XDH P47989 6/20 0.48
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAP4K4 O95819 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
SRD5A2 P31213 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
SCHEMBL28571512 0.90 XDH (0.48) GRM5ALDH1A1XDHHPGDMAP4K4
SCHEMBL1398503 0.85 GRM5 (0.55) GRM5ALDH1A1XDH
SCHEMBL25598322 0.84 GRM5 (0.52) GRM5XDHKDM4E
SCHEMBL28343052 0.83 ALDH1A1 (0.50) GRM5ALDH1A1XDHHPGDKDM4E
SCHEMBL30568881 0.82 KDM1A (0.60) ALDH1A1SMN1; SMN2MAP4K4
SCHEMBL20512752 0.82 KDM1A (0.60) ALDH1A1SMN1; SMN2MAP4K4
SCHEMBL22861578 0.81 XDH (0.55) GRM5XDH
SCHEMBL1495528 0.81 GRM2 (0.45) GRM5ALDH1A1SMN1; SMN2XDH
SCHEMBL28577779 0.81 EGFR (0.49) GRM5XDHKDM4E
SCHEMBL29788229 0.79 XDH (0.60) ALDH1A1XDHHPGD

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-2008073789-A1 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2008-06-19 WO disclosed