SCHEMBL27847437

SCHEMBL27847437

O=CC(=O)c1c2ccccc2cc2c(O)ccc(O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ABCG2 Q9UNQ0 6/20 0.42
▸ ERN1 O75460 1/20 0.40
▸ TRPM4 Q8TD43 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ NQO2 P16083 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ APP P05067 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 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
SCHEMBL28873887 0.88 KDM4E (0.39) CYP1A2HPGDHSD17B10KDM4EMEN1
SCHEMBL28025138 0.83 CYP1A2 (0.46) CYP1A2HPGDHSD17B10KDM4EMEN1
SCHEMBL27704794 0.81 ALDH1A1 (0.43) CYP1A2HPGDHSD17B10KDM4EMEN1
SCHEMBL28025152 0.81 ALDH1A1 (0.43) CYP1A2HPGDHSD17B10KDM4EMEN1
SCHEMBL27348528 0.81 PTPN22 (0.46) CYP1A2HPGDHSD17B10KDM4EMEN1
Hydrochloric Acid SCHEMBL28024689 0.81 CYP1A2 (0.44) CYP1A2HPGDHSD17B10KDM4EMEN1
SCHEMBL27661280 0.79 ALDH1A1 (0.61) CYP1A2HPGDHSD17B10KDM4EMEN1
SCHEMBL27780588 0.79 ALDH1A1 (0.49) CYP1A2HPGDHSD17B10KDM4EMEN1
SCHEMBL27810256 0.78 ALDH1A1 (0.59) CYP1A2HPGDHSD17B10KDM4EMEN1
SCHEMBL28212555 0.78 TDP1 (0.37) HPGDHSD17B10KDM4EABCG2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104837814-B Novel compound and use thereof 拜欧斯戴特斯公司 2018-04-17 — — CN disclosed
CN-104837814-A Novel compound and use thereof BIOSTATUS LTD 2015-08-12 — — CN disclosed
CN-101903450-B Polyolefin composition for medium/high/extra high voltage cables with improved electrical breakdown strength BOREALIS TECH OY 2013-08-28 — — CN disclosed
CN-101903450-A Polyolefin composition for medium/high/extra high voltage cables with improved electrical breakdown strength BOREALIS TECH OY 2010-12-01 — — CN disclosed
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