SCHEMBL10045903

SCHEMBL10045903

CC1(C)c2ccccc2-c2cc(C3=CC4C(=O)c5cc(-c6ccc7c(c6)-c6ccccc6C7(C)C)ccc5CCC4C=C3)ccc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.31
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
SCHEMBL10045905 0.97
SCHEMBL10045902 0.95 CYP19A1 (0.31) CYP19A1ALDH1A1GAAMAPTHPGD
SCHEMBL10045639 0.76 ANPEP (0.33) CYP19A1
SCHEMBL10045901 0.75 BRD4 (0.36)
SCHEMBL5019909 0.74
SCHEMBL14925859 0.72 L3MBTL1 (0.46) ALDH1A1MAPT
SCHEMBL14925861 0.69 L3MBTL1 (0.43) ALDH1A1MAPT
SCHEMBL12177813 0.68 MEN1 (0.42) ALDH1A1MAPT
SCHEMBL10045919 0.66 L3MBTL1 (0.45) MAPT
SCHEMBL27253587 0.65 MEN1 (0.32) ALDH1A1MAPTHPGD

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