SCHEMBL30464043

SCHEMBL30464043

Nc1c(CCCCCC(O)O)cc(O)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.47
▸ AURKB Q96GD4 1/20 0.47
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ MAPT P10636 4/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MAOA P21397 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ DAPK1 P53355 2/20 0.43
▸ TTR P02766 2/20 0.43
▸ BRCA1 P38398 2/20 0.43
▸ CYP1A1 P04798 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HSPD1 P10809 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ALOX12 P18054 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
SCHEMBL11591306 0.81 AURKA (0.54) AURKAAURKBMEN1KMT2AMAPT
SCHEMBL11327828 0.78 AURKA (0.56) AURKAAURKBMEN1KMT2AMAPT
SCHEMBL28124672 0.74 AURKA (0.47) AURKAAURKBMEN1KMT2AMAPT
SCHEMBL11228475 0.73 AURKA (0.51) AURKAAURKBMEN1KMT2AMAPT
SCHEMBL10086456 0.72 MEN1 (0.67) AURKAAURKBMEN1KMT2AMAPT
SCHEMBL2184523 0.72 AURKA (0.61) AURKAAURKBMEN1KMT2AMAPT
SCHEMBL10865318 0.72 MEN1 (0.47) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL27510462 0.71 MCL1 (0.62) AURKAAURKBMEN1KMT2AMAPT
SCHEMBL14353222 0.70 MAOA (0.59) MEN1KMT2AMAPTTDP1MAPK1
SCHEMBL7822355 0.69 GNG2 (0.59) AURKAAURKBMEN1KMT2AMAPT

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-116515166-A Colorant for resin coloring and preparation method thereof 双乐颜料股份有限公司 2023-08-01 — — CN claimed
CN-116515166-A Colorant for resin coloring and preparation method thereof 双乐颜料股份有限公司 2023-08-01 — — CN disclosed
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