SCHEMBL13352353

SCHEMBL13352353

COc1cc2ccccc2c2c1C(C)=CC(C)(C)N2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 7/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NR3C1 P04150 8/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NQO1 P15559 1/20 0.37
▸ AR P10275 2/20 0.36
▸ NR3C2 P08235 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36

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
SCHEMBL12647196 0.82 PGR (0.43) PGRALDH1A1MAPTKDM4EMEN1
SCHEMBL14144031 0.73 ALDH1A1 (0.50) PGRALDH1A1MAPTKDM4EMEN1
SCHEMBL1408342 0.71 MAPT (0.37) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2719064 0.68 ALDH1A1 (0.51) PGRALDH1A1MAPTKDM4EMEN1
SCHEMBL24972224 0.68 NR3C1 (0.54) PGRNR3C1ARNR3C2
SCHEMBL3523036 0.67 ALDH1A1 (0.60) PGRALDH1A1MAPTKDM4EMEN1
SCHEMBL22291695 0.67 MAPT (0.57) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL1408679 0.66 MAPT (0.39) ALDH1A1MAPTKDM4EHPGDNPSR1
SCHEMBL12809947 0.66 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7989542 0.65 MAPT (0.50) ALDH1A1MAPTKDM4EMEN1KMT2A

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
EP-2186801-A2 Intermediates for synthesizing dibenzorhodamine dyes Applera Corporation (US) 2010-05-19 — — EP disclosed
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