SCHEMBL28184418

SCHEMBL28184418

COc1cccc(-c2cccc(OC)c2N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.54
▸ CYP1A1 P04798 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2E1 P05181 2/20 0.54
▸ CYP2C8 P10632 2/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ CYP2A6 P11509 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP4B1 P13584 2/20 0.54
▸ CYP2B6 P20813 2/20 0.54
▸ CYP3A5 P20815 2/20 0.54
▸ CYP2A7 P20853 2/20 0.54
▸ CYP3A7 P24462 2/20 0.54
▸ CYP2F1 P24903 2/20 0.54
▸ CYP2C18 P33260 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ CYP2J2 P51589 2/20 0.54
▸ CYP4F2 P78329 2/20 0.54
▸ CYP4F8 P98187 2/20 0.54
▸ CYP4A11 Q02928 2/20 0.54

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
Hydrochloric Acid SCHEMBL31425163 0.98 CYP3A4 (0.53) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL3490386 0.84 TDO2 (0.54) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL3790127 0.84 FYN (0.50) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL5849737 0.84 CYP1A1 (0.65) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL27185996 0.83 CYP3A4 (0.46) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL30839798 0.83 CYP3A4 (0.46) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL27938882 0.82 ABL1 (0.50) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL3252192 0.82 ALDH1A1 (0.48) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29634473 0.82 ALDH1A1 (0.48) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29132921 0.81 TDO2 (0.51) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105392822-B Aeroge synthetic method 耐克索尔夫公司 2018-08-14 — — CN claimed
CN-115436615-A Dry-type analytical reagent for detecting total cholesterol 乐凯医疗科技有限公司 2022-12-06 — — CN disclosed
CN-107709424-B Systems and methods for producing aerogel materials 气凝胶科技有限责任公司 2022-08-02 — — CN disclosed
CN-105408399-B Novel polymers and thermosetting compositions containing same 富士胶片电子材料美国有限公司 2019-01-01 — — CN disclosed
CN-107922626-A The method for preparing polyimides micronized particle, the particle formed by it and the product made by it 沙特基础工业全球技术有限公司 2018-04-17 — — CN disclosed
CN-107849348-A Aerogel material and its production method 气凝胶科技有限责任公司 2018-03-27 — — CN disclosed
CN-107406680-A Hypotoxicity poly- (etherimide siloxanes) aromatic polyketones composition, manufacture method and the product being made from it 沙特基础工业全球技术有限公司 2017-11-28 — — CN disclosed
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