SCHEMBL28161055

SCHEMBL28161055

O=C(c1c(O)cccc1O)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 2/20 0.59
▸ NR4A1 P22736 1/20 0.57
▸ NR4A2 P43354 1/20 0.57
▸ NR4A3 Q92570 1/20 0.57
▸ KMT2A Q03164 3/20 0.56
▸ POLB P06746 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ BCL2L1 Q07817 1/20 0.55
▸ CYP1A2 P05177 2/20 0.54
▸ MMP3 P08254 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ CNR2 P34972 7/20 0.51
▸ CNR1 P21554 5/20 0.51
▸ PTPN1 P18031 1/20 0.50
▸ PLK1 P53350 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ IGFBP3 P17936 1/20 0.49
▸ NR1I2 O75469 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49

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
SCHEMBL29068807 0.88 CDC25B (0.51) CDC25BNR4A1NR4A2NR4A3KMT2A
SCHEMBL6826963 0.86 CDC25B (0.67) CDC25BNR4A1NR4A2NR4A3KMT2A
SCHEMBL30586611 0.86 CDC25B (0.67) CDC25BNR4A1NR4A2NR4A3KMT2A
SCHEMBL29414437 0.83 CDC25B (0.80) CDC25BNR4A1NR4A2NR4A3KMT2A
SCHEMBL244802 0.83 CDC25B (0.80) CDC25BNR4A1NR4A2NR4A3KMT2A
Hydrochloric Acid SCHEMBL27713225 0.81 CDC25B (0.77) CDC25BNR4A1NR4A2NR4A3KMT2A
SCHEMBL8861227 0.81 LIG1 (0.57) KMT2AGAACYP1A2MEN1MAPT
SCHEMBL28798266 0.79 CDC25B (0.58) CDC25BNR4A1NR4A2NR4A3KMT2A
SCHEMBL247300 0.79 CDC25B (0.62) CDC25BNR4A1NR4A2NR4A3KMT2A
Naphthoic Acid SCHEMBL27804064 0.77 NR4A1 (0.81) CDC25BNR4A1NR4A2NR4A3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106999382-B Hair deforming agent 花王株式会社 2020-07-10 — — CN disclosed
CN-106999380-B Hair deforming agent 花王株式会社 2020-05-05 — — CN disclosed
CN-109562033-A Cosmetic preparation for hair 花王株式会社 2019-04-02 — — CN disclosed
CN-109562034-A Hair cosmetic composition 花王株式会社 2019-04-02 — — CN disclosed
CN-106999382-A Hair deformation process agent 花王株式会社 2017-08-01 — — CN disclosed
CN-106999380-A Hair deforming agent 花王株式会社 2017-08-01 — — CN disclosed
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