SCHEMBL2753072

SCHEMBL2753072

COc1cc(OC)cc(-c2cc[c]cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 6/20 0.57
▸ ABCB1 P08183 6/20 0.57
▸ BCR P11274 6/20 0.57
▸ CYP1A1 P04798 6/20 0.56
▸ CYP1B1 Q16678 6/20 0.56
▸ CYP1A2 P05177 3/20 0.56
▸ CYP2E1 P05181 3/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ CYP2C8 P10632 3/20 0.56
▸ CYP2D6 P10635 3/20 0.56
▸ CYP2A6 P11509 3/20 0.56
▸ CYP2C9 P11712 3/20 0.56
▸ CYP4B1 P13584 3/20 0.56
▸ CYP2B6 P20813 3/20 0.56
▸ CYP3A5 P20815 3/20 0.56
▸ CYP2A7 P20853 3/20 0.56
▸ CYP3A7 P24462 3/20 0.56
▸ CYP2F1 P24903 3/20 0.56
▸ CYP2C18 P33260 3/20 0.56
▸ CYP2C19 P33261 3/20 0.56

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
SCHEMBL28509619 0.86 ABL1 (0.44) ABL1ABCB1BCRCYP1A1CYP1B1
SCHEMBL27852526 0.86 ABL1 (0.44) ABL1ABCB1BCRCYP1A1CYP1B1
Water SCHEMBL27689515 0.81 ABL1 (0.76) ABL1ABCB1BCRCYP1A1CYP1B1
SCHEMBL29022643 0.81 ESR2 (0.56) ABL1ABCB1BCRNPC1TP53
SCHEMBL183073 0.81 ESR2 (0.56) ABL1ABCB1BCRNPC1TP53
SCHEMBL533719 0.81 CYP3A4 (0.55) ABL1ABCB1BCRCYP1A1CYP1B1
SCHEMBL2954516 0.80 ALDH1A1 (0.79) ABL1ABCB1BCRCYP1A1CYP1B1
SCHEMBL2274524 0.78 ABL1 (0.79) ABL1ABCB1BCRCYP1A1CYP1B1
SCHEMBL1569892 0.78 CYP11B1 (0.57) CYP1A1CYP1B1CYP1A2CYP3A4CYP2C9
SCHEMBL2752472 0.77 ALDH1A1 (0.50) ABL1ABCB1BCRCYP1A1CYP1B1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344695-A Hydroxyl-enriched cycloolefin copolymer long afterglow material and application thereof 重庆理工大学 2024-07-16 — — CN claimed
CN-114989519-A Application of cycloolefin polymer in long afterglow material 重庆理工大学 2022-09-02 — — CN claimed
CN-113444125-A Novel phosphoramidite ligand, preparation method thereof and application thereof in asymmetric carbonylation reaction 西北大学 2021-09-28 — — CN claimed
US-6890930-B1 Quinazolinones 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-05-10 — — US claimed
CN-118344695-A Hydroxyl-enriched cycloolefin copolymer long afterglow material and application thereof 重庆理工大学 2024-07-16 — — CN disclosed
CN-113444125-B Phosphoramidite ligand, preparation method thereof and application thereof in asymmetric carbonylation reaction 西北大学 2024-01-26 — — CN disclosed
CN-110818660-B Beta-hydroxylase inhibitors for the treatment of cancer 罗得岛医院 2023-09-12 — — CN disclosed
CN-114989519-B Application of cycloolefin polymer in long afterglow material 重庆理工大学 2023-08-25 — — CN disclosed
CN-114989519-A Application of cycloolefin polymer in long afterglow material 重庆理工大学 2022-09-02 — — CN disclosed
CN-113444125-A Novel phosphoramidite ligand, preparation method thereof and application thereof in asymmetric carbonylation reaction 西北大学 2021-09-28 — — CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 — — EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 — — EP disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 — — EP disclosed
EP-1318985-A2 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 — — EP disclosed
EP-1216235-A1 QUINAZOLINONES MERCK PATENT GmbH (DE) 2002-06-26 — — EP disclosed
EP-1216233-A1 QUINAZOLINONES MERCK PATENT GmbH (DE) 2002-06-26 — — EP disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 — — WO disclosed
WO-2002024666-A2 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 — — WO disclosed
WO-2001023365-A1 QUINAZOLINONES MERCK PATENT GMBH (DE) 2001-04-05 — — WO disclosed
WO-2001023364-A1 QUINAZOLINONES MERCK PATENT GMBH (DE) 2001-04-05 — — WO disclosed
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