SCHEMBL11544482

SCHEMBL11544482

CCC1C(=O)c2ccccc2C1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR2B P41595 1/20 0.41
ALDH1A1 P00352 2/20 0.40
EDNRA P25101 1/20 0.38
TOP1 P11387 1/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.33

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
SCHEMBL11545781 0.80 MAPT (0.36) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL8117184 0.77 CYP1A2 (0.50) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL11547366 0.77 CYP1A2 (0.45) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL18402943 0.77 ALDH1A1 (0.38) MEN1KMT2ALMNAMAPK1CYP1A2
SCHEMBL8347636 0.75 CYP2D6 (0.46) MEN1KMT2ALMNATP53CYP1A2
SCHEMBL22721829 0.74 MEN1 (0.58) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL11549835 0.73 S100A4 (0.54) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL11545827 0.73 CYP1A2 (0.45) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL14665269 0.73 MAPT (0.45) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL11547901 0.72 EDNRA (0.43) MEN1KMT2ALMNAMAPTMAPK1

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-4151182-A CATALYTIC OXIDATION FROM INDANS OR DIPHENYLMETHANE DERIVATIVES BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DE) 1979-04-24 US disclosed