SCHEMBL11834108

SCHEMBL11834108

CCOC(=O)C(C)C(C)C(Cl)c1ccc(-c2ccccc2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GRM6 O15303 1/20 0.39
▸ PGR P06401 1/20 0.38
▸ NR3C2 P08235 1/20 0.38
▸ AOC3 Q16853 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ DBF4 Q9UBU7 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36
▸ CYP2A6 P11509 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
SCHEMBL11836185 0.83 GRM6 (0.42) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL11827580 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL11790207 0.80 CASP1 (0.47) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL11827342 0.80 AKR1C3 (0.40) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL11828428 0.80 MME (0.44) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL11829151 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL11837196 0.79 GRM6 (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL11838428 0.79 GRM6 (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL11842029 0.79 GRM6 (0.41) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL11837141 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDMAPTNPSR1

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-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
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