SCHEMBL8089703

SCHEMBL8089703

CC(C)c1ccc(C2C=CC=[C]C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
TNKS2 Q9H2K2 2/20 0.36
TNKS O95271 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
TYR P14679 2/20 0.35
MGLL Q99685 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 4/20 0.31
LMNA P02545 2/20 0.31
IDO1 P14902 1/20 0.31
NFE2L2 Q16236 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
MAPT P10636 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
SCHEMBL29278498 0.65 HPGD (0.48) HPGDTNKS2TNKSPARP3TYR
SCHEMBL7102205 0.62 RAB9A (0.63) HPGDTNKS2TNKSPARP3LMNA
SCHEMBL13454092 0.62 MAPT (0.57) HPGDTNKS2TNKSPARP3TYR
SCHEMBL104124 0.62 TYR (0.58) HPGDTYRMGLLALDH1A1LMNA
SCHEMBL11657580 0.60
SCHEMBL28912214 0.59 TYR (0.55) HPGDTYRMGLLALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL7550588 0.59 TYR (0.55) HPGDTYRMGLLALDH1A1LMNA
Water SCHEMBL29278796 0.59 TYR (0.55) HPGDTYRMGLLALDH1A1LMNA
SCHEMBL6203905 0.59 TYR (0.55) HPGDTYRMGLLALDH1A1LMNA
Water SCHEMBL11726962 0.59 TYR (0.55) HPGDTYRMGLLALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051394-A1 POTASSIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2000-11-15 EP disclosed
WO-1999037607-A1 POTASSIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 1999-07-29 WO disclosed