SCHEMBL3229464

SCHEMBL3229464

COc1cccc(-c2cc(OC)cc(C(C)(C)C)c2C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CYP1A1 P04798 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2E1 P05181 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C8 P10632 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ CYP2A6 P11509 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP4B1 P13584 2/20 0.44
▸ CYP2B6 P20813 2/20 0.44
▸ CYP3A5 P20815 2/20 0.44
▸ CYP2A7 P20853 2/20 0.44
▸ CYP3A7 P24462 2/20 0.44
▸ CYP2F1 P24903 2/20 0.44

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
SCHEMBL7647539 0.83 CA1 (0.59) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL12203517 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL29705871 0.73 CYP1A1 (0.47) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL20209346 0.73 CYP1A1 (0.47) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL12221333 0.72 FFAR1 (0.53) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL2020140 0.72 ABL1 (0.59) ALDH1A1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL11429621 0.71 CA2 (0.59) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL29489425 0.71 CYP3A4 (0.73) ALDH1A1KDM4EKMT2ACYP1A1CYP1A2
SCHEMBL196765 0.71 CYP3A4 (0.73) ALDH1A1KDM4EKMT2ACYP1A1CYP1A2
SCHEMBL14603381 0.71 CYP3A4 (0.52) ALDH1A1KDM4ECYP1A1CYP1A2CYP2E1

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-103814006-B There is the hydroformylation process of the catalyst stability of improvement in the reaction LG CHEM, LTD. (KR) 2015-08-12 — — CN claimed
CN-117836267-A Process for preparing omega-aminocarboxylic acids and derivatives thereof 维尔萨利斯股份公司 2024-04-05 — — CN disclosed
CN-109369722-B Preparation method of bisphosphite 中国海洋石油集团有限公司 2021-12-17 — — CN disclosed
CN-113278032-A Preparation method of bidentate phosphite compound in microchannel reactor 上海簇睿低碳能源技术有限公司 2021-08-20 — — CN disclosed
CN-113004124-A Purification method of 3,3 ', 5,5 ' -tetrasubstituted-2, 2 ' -biphenol 山东京博石油化工有限公司 2021-06-22 — — CN disclosed
WO-2010030339-A1 ACETYLENE TOLERANT HYDROFORMYLATION CATALYSTS EASTMAN CHEMICAL COMPANY (US) 2010-03-18 — — WO disclosed
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