SCHEMBL30689257

SCHEMBL30689257

COc1cccc(-c2ccc3c(c2)C(=O)c2cc(-c4cccc(OC)c4)ccc2-3)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALKBH3 Q96Q83 1/20 0.62
▸ CHEK1 O14757 1/20 0.56
▸ HDAC4 P56524 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ EDNRB P24530 1/20 0.56
▸ EDNRA P25101 1/20 0.56
▸ BRD4 O60885 2/20 0.55
▸ MAOB P27338 2/20 0.52
▸ PTPN1 P18031 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ CYP1A1 P04798 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2E1 P05181 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C8 P10632 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP4B1 P13584 1/20 0.50
▸ CYP2B6 P20813 1/20 0.50

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
SCHEMBL30689242 0.83 ALKBH3 (0.56) ALKBH3HDAC4HDAC8EDNRBEDNRA
SCHEMBL1481140 0.83 ALKBH3 (0.56) ALKBH3HDAC4HDAC8EDNRBEDNRA
SCHEMBL1482648 0.81 PTPN1 (0.61) ALKBH3HDAC4HDAC8EDNRBEDNRA
SCHEMBL1180343 0.80 ABL1 (0.69) ALKBH3HDAC4HDAC8BRD4MAOB
SCHEMBL29489425 0.80 CYP3A4 (0.73) HDAC4HDAC8BRD4MAOBGAA
SCHEMBL196765 0.80 CYP3A4 (0.73) HDAC4HDAC8BRD4MAOBGAA
SCHEMBL30629120 0.78 CA1 (0.57) PTPN1GAACYP1A2CYP3A4CYP2D6
SCHEMBL8076766 0.78 CA1 (0.57) PTPN1GAACYP1A2CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL27960505 0.78 CYP3A4 (0.70) HDAC4HDAC8BRD4MAOBGAA
Hydrogen Sulfide SCHEMBL28640169 0.78 CYP3A4 (0.70) HDAC4HDAC8BRD4MAOBGAA

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-117209367-A Fluorenyl bisphenol monomer and fluorenyl polyarylether resin, and preparation method and application thereof 大连理工大学 2023-12-12 — — CN disclosed
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