SCHEMBL8364609

SCHEMBL8364609

CO/C=C1\CC(C=O)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
CYP19A1 P11511 3/20 0.33
CYP11B2 P19099 2/20 0.33
FABP5 Q01469 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
FABP3 P05413 1/20 0.31
MEN1 O00255 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
KMT2A Q03164 2/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HPGD P15428 1/20 0.30
MAP1LC3B Q9GZQ8 1/20 0.30

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
SCHEMBL7739985 0.75 POLB (0.38) POLBFABP5FABP3ALDH1A1MAPT
SCHEMBL2354458 0.73 S100A4 (0.41) CYP19A1EDNRBEDNRAALDH1A1MAPT
SCHEMBL12719040 0.66 KDM1A (0.44) KMT2A
SCHEMBL1970316 0.63 CHRNB4 (0.36) MEN1ALDH1A1KMT2ATDP1
SCHEMBL7508993 0.61 MAOB (0.58) POLBCYP19A1CYP11B2MEN1ALDH1A1
SCHEMBL11677796 0.61 HTR2A (0.46)
SCHEMBL30667179 0.60 CYP19A1 (0.50) CYP19A1CYP11B2ALDH1A1MAPTHPGD
SCHEMBL9755397 0.60 CDC25A (0.38) POLBALDH1A1MAPTTDP1HPGD
SCHEMBL7959973 0.60 CYP19A1 (0.50) CYP19A1CYP11B2ALDH1A1MAPTHPGD
SCHEMBL1057092 0.59 CYP1A2 (0.31) MEN1ALDH1A1MAPTKMT2A

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
US-6699909-B1 MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS; CENTRAL NERVOUS SYSTEM DISORDERS PRESCIENT NEUROPHARMA INC. (CA) 2004-03-02 US disclosed