SCHEMBL28447477

SCHEMBL28447477

Nc1cccc(-c2cccc(O)c2O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.50
IKBKB O14920 1/20 0.49
MAOA P21397 2/20 0.48
MCL1 Q07820 1/20 0.46
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HSD17B1 P14061 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B2 P37059 1/20 0.43

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
SCHEMBL3786301 0.86 ALDH1A1 (0.58) MAP4K4IKBKBMAOAMCL1CA1
SCHEMBL9973586 0.85 HPGD (0.52) MAOACA1CA2ALDH1A1TDP1
SCHEMBL3785880 0.84 MAP4K4 (0.50) MAP4K4IKBKBMAOAMCL1CA1
SCHEMBL3790386 0.84 MAP4K4 (0.50) MAP4K4IKBKBMAOAMCL1CA1
SCHEMBL8264668 0.81 HSD17B14 (0.51) MAP4K4IKBKBMAOAMCL1CA1
SCHEMBL15946065 0.81 MAOA (0.61) MAP4K4IKBKBMAOAMCL1CA1
SCHEMBL28636572 0.81 MCL1 (0.47) MAP4K4IKBKBMAOAMCL1CA1
SCHEMBL28639432 0.80 MAOA (0.48) MAP4K4IKBKBMAOAMCL1CA1
SCHEMBL23290116 0.79 HSD17B1 (0.54) CA1CA2ALDH1A1TDP1CA12
SCHEMBL13368747 0.79 HPGD (0.60) CA1CA2ALDH1A1TDP1CYP1A2

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
CN-114773780-A Resin composition, resin paste, cured product, semiconductor chip package, and semiconductor device 味之素株式会社 2022-07-22 CN disclosed
CN-106973490-B Use of siloxane compounds for printed wiring boards 日立化成株式会社 2020-07-07 CN disclosed