SCHEMBL29589241

SCHEMBL29589241

COc1ccc(-c2ccc(OC)cc2OC)c(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 6/20 0.69
CYP1B1 Q16678 6/20 0.69
CYP1A2 P05177 4/20 0.69
CYP3A4 P08684 2/20 0.69
CYP2E1 P05181 1/20 0.69
CYP2C8 P10632 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2A6 P11509 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP4B1 P13584 1/20 0.69
CYP2B6 P20813 1/20 0.69
CYP3A5 P20815 1/20 0.69
CYP2A7 P20853 1/20 0.69
CYP3A7 P24462 1/20 0.69
CYP2F1 P24903 1/20 0.69
CYP2C18 P33260 1/20 0.69
CYP2C19 P33261 1/20 0.69
CYP2J2 P51589 1/20 0.69
CYP4F2 P78329 1/20 0.69
CYP4F8 P98187 1/20 0.69

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
SCHEMBL196689 1.00 CYP1A1 (0.69) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL9272421 0.89 CYP1A2 (0.63) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL17599105 0.86 CYP1A1 (0.71) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL6678654 0.84 CYP1A1 (0.58) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL26355120 0.84 CYP1A1 (0.58) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL30587172 0.84 CYP1A1 (0.58) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL10388011 0.84 CYP1A1 (0.58) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL8819682 0.84 CYP1A2 (0.58) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL5632975 0.83 CYP1A1 (0.79) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1
SCHEMBL10841554 0.83 CYP3A4 (0.56) CYP1A1CYP1B1CYP1A2CYP3A4CYP2E1

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
EP-3710422-B1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY AND DIASTEREOMERICALLY ENRICHED CYCLOBUTANE AMINES AND AMIDES SYNGENTA CROP PROTECTION AG (CH) 2026-01-07 EP claimed
EP-3710422-B1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY AND DIASTEREOMERICALLY ENRICHED CYCLOBUTANE AMINES AND AMIDES SYNGENTA CROP PROTECTION AG (CH) 2026-01-07 EP disclosed
WO-2025056767-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED ALIPHATIC AMINES SYNGENTA CROP PROTECTION AG (CH) 2025-03-20 WO disclosed
CN-114981253-B Process and intermediates for preparing chroman compounds and methods therefor 印度鲁宾有限公司 2024-06-18 CN disclosed
CN-114981253-A Process and intermediates for preparing chroman compounds and methods therefor 印度鲁宾有限公司 2022-08-30 CN disclosed
CN-111484437-B Method for introducing tertiary isopentenyl group to C3 position of indole 中国科学院大连化学物理研究所 2022-06-07 CN disclosed
CN-111484436-B Method for introducing isopentene group into C3 position of indole 中国科学院大连化学物理研究所 2022-06-07 CN disclosed