SCHEMBL29007291

SCHEMBL29007291

CC1(C)OB(c2cccc3c2[nH]c2c4ccccc4ccc32)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.45
▸ LPL P06858 2/20 0.41
▸ LIPG Q9Y5X9 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMT2A Q03164 6/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MCL1 Q07820 1/20 0.35
▸ CDC25A P30304 1/20 0.34
▸ CDC25C P30307 1/20 0.34
▸ RAB9A P51151 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 5/20 0.33

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
SCHEMBL29639954 1.00 KIF11 (0.45) KIF11LPLLIPGKDM4EALDH1A1
SCHEMBL29906217 0.82 CDK4 (0.39) KIF11LPLLIPGKDM4ERAB9A
SCHEMBL21676034 0.82 CDK4 (0.39) KIF11LPLLIPGKDM4ERAB9A
SCHEMBL18933920 0.81 LPL (0.38) KIF11LPLLIPGJAK2BTK
SCHEMBL29675284 0.81 KIF11 (0.49) KIF11LPLLIPGKDM4EALDH1A1
SCHEMBL29961225 0.81 KIF11 (0.49) KIF11LPLLIPGKDM4EALDH1A1
SCHEMBL16835585 0.81 KIF11 (0.49) KIF11LPLLIPGKDM4EALDH1A1
SCHEMBL25214447 0.81 LIPG (0.46) KIF11LPLLIPGKDM4EKMT2A
SCHEMBL24951376 0.80 HPRT1 (0.47) LPLLIPGALDH1A1HPGDKMT2A
SCHEMBL476903 0.80 HPRT1 (0.47) LPLLIPGALDH1A1HPGDKMT2A

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
CN-115989725-A Compound and organic light emitting device including the same 株式会社LG化学 2023-04-18 — — CN disclosed
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