SCHEMBL13983232

SCHEMBL13983232

CC(C)(O)C#Cc1c(Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TDP1 Q9NUW8 4/20 0.40
▸ GPR35 Q9HC97 2/20 0.40
▸ HPGD P15428 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ TSHR P16473 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ PLAU P00749 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL13982751 0.82 HPGD (0.39) ALDH1A1LMNATDP1GPR35HPGD
SCHEMBL13983237 0.81 MAPK1 (0.40) ALDH1A1LMNATDP1GPR35HPGD
SCHEMBL20455632 0.81 L3MBTL1 (0.37) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL13982723 0.78 HPGD (0.45) ALDH1A1TDP1GPR35HPGDMAPT
SCHEMBL11452376 0.75 HSD17B10 (0.43) ALDH1A1TDP1GPR35HPGDMEN1
SCHEMBL13982690 0.74 HPGD (0.47) ALDH1A1TDP1GPR35HPGDMAPT
SCHEMBL2950121 0.73 VCAM1 (0.50) ALDH1A1TDP1GPR35HPGDMAPT
SCHEMBL21957846 0.73 VCAM1 (0.50) ALDH1A1TDP1GPR35HPGDMAPT
SCHEMBL11451658 0.72 ALDH1A1 (0.39) ALDH1A1TDP1GPR35HPGDMAPT
SCHEMBL13983242 0.70 ALDH1A1 (0.38) ALDH1A1LMNATDP1GPR35HPGD

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-2008156656-A2 METHOD FOR MAKING BIARYL COMPOUNDS, COMPOUNDS MADE BY THE METHOD, AND METHOD FOR THEIR USE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2008-12-24 — — WO disclosed
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