SCHEMBL10045902

SCHEMBL10045902

CC1(C)c2ccccc2-c2ccc(C3=CC4C(=O)c5cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc5CCC4C=C3)cc21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.31
PDK2 Q15119 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 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
SCHEMBL10045903 0.95 CYP19A1 (0.31) CYP19A1ALDH1A1GAAMAPTHPGD
SCHEMBL10045905 0.92
SCHEMBL10045639 0.75 ANPEP (0.33) CYP19A1
SCHEMBL10045919 0.73 L3MBTL1 (0.45) PDK2MAPT
SCHEMBL5019909 0.69
SCHEMBL12177817 0.68 MAOA (0.44) PDK2ALDH1A1MAPTHPGD
SCHEMBL1649136 0.68 PDK2 (0.47) PDK2
SCHEMBL16017948 0.67 NPC1 (0.47) PDK2ALDH1A1MAPT
SCHEMBL12177773 0.67 MEN1 (0.43) PDK2MAPT
SCHEMBL17752301 0.67 NPC1 (0.47) PDK2ALDH1A1MAPT

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-2012008558-A1 ORGANIC LIGHT-EMITTING DEVICE MATERIAL HAVING DIBENZOSUBERONE SKELETON CANON KABUSHIKI KAISHA (JP) 2012-01-19 WO disclosed