SCHEMBL547469

SCHEMBL547469

C=CCc1cc(Br)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.66
GABRB2 P47870 3/20 0.66
POLB P06746 2/20 0.56
MAPT P10636 4/20 0.55
KMT2A Q03164 4/20 0.55
GAA P10253 3/20 0.55
LMNA P02545 2/20 0.55
ALOX12 P18054 1/20 0.55
MEN1 O00255 3/20 0.51
CNR1 P21554 2/20 0.51
CNR2 P34972 2/20 0.51
ALOX5 P09917 1/20 0.51
GABRB1 P18505 1/20 0.51
RXRA P19793 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
SIRT3 Q9NTG7 1/20 0.51
AKR1B1 P15121 2/20 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
Formaldehyde SCHEMBL28004393 0.96 GABRA1 (0.61) GABRA1GABRB2POLBMAPTKMT2A
SCHEMBL472482 0.84 GABRA1 (0.50) GABRA1GABRB2POLBMAPTKMT2A
SCHEMBL8665741 0.81 LMNA (0.41) GABRA1GABRB2POLBMAPTKMT2A
SCHEMBL9245228 0.80 GABRA1 (0.41) GABRA1GABRB2POLBMAPTKMT2A
SCHEMBL789209 0.80 ERN1 (0.52) GABRA1GABRB2POLBTSHRGFER
SCHEMBL7131922 0.79 KMT2A (0.40) GABRA1GABRB2POLBMAPTKMT2A
SCHEMBL11223610 0.79 LMNA (0.40) GABRA1GABRB2POLBMAPTKMT2A
SCHEMBL252293 0.79 GABRA1 (1.00) GABRA1GABRB2POLBMAPTKMT2A
SCHEMBL71514 0.79 GABRA1 (0.70) GABRA1GABRB2POLBMAPTKMT2A
SCHEMBL30893166 0.79 GABRA1 (0.70) GABRA1GABRB2POLBMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053935-B Novel macromolecular self-supported salicylaldimine metal titanium complex, and synthesis method and use method thereof 武汉科技大学 2022-02-01 CN claimed
EP-1678112-A1 METHOD FOR PRODUCTION OF BIS(HYDROXY-AROMATIC) COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2006-07-12 EP claimed
WO-2005040080-A1 METHOD FOR PRODUCTION OF BIS(HYDROXY-AROMATIC) COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2005-05-06 WO claimed
US-6833482-B1 Catalytic reductive coupling reaction using hydrogen as the reductant GENERAL ELECTRIC COMPANY 2004-12-21 US claimed
CN-112321452-B Magnolol derivative, honokiol derivative and hydrochloride thereof, preparation method and application 北京红惠新医药科技有限公司 2022-11-29 CN disclosed
WO-2022052998-A1 MAGNOLOL DERIVATIVE, MAGNOLOL DERIVATIVE AND SALTS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 北京红惠新医药科技有限公司 2022-03-17 WO disclosed
CN-109053935-B Novel macromolecular self-supported salicylaldimine metal titanium complex, and synthesis method and use method thereof 武汉科技大学 2022-02-01 CN disclosed
CN-112321452-A Magnolol derivative, honokiol derivative and hydrochloride thereof, preparation method and application 北京红惠新医药科技有限公司 2021-02-05 CN disclosed
CN-110982537-A Polymerizable compound, and liquid crystal composition and liquid crystal display element using same DIC株式会社 2020-04-10 CN disclosed
EP-3135272-A1 COMPOSITIONS FOR MOUTH WASH IN THE FORM OF TABLETS BASF S.A. (BR) 2017-03-01 EP disclosed
US-8110601-B2 Compound, α1 adrenergic receptor antagonistic agent, and composition SUNTORY HOLDINGS LIMITED (JP) 2012-02-07 US disclosed
US-8110601-B2 Compound, α1 adrenergic receptor antagonistic agent, and composition SUNTORY HOLDINGS LIMITED (JP) 2012-02-07 US disclosed
US-4883613-A TREATMENT OF RHEUMATOID ARTHRITIS, IMMUNOSUPPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1989-11-28 US disclosed
US-4883614-A TREATMENT OF RHEUMATOID ARTHRITIS, IMMUNOSUPPRESSANTS HOFFMAN-LA ROCHE INC. (US) 1989-11-28 US disclosed
US-4780251-A ANTIRHEUMATIC AGENTS, IMMUNOSUPPRESSANTS HOFFMAN-LA ROCHE INC. (US) 1988-10-25 US disclosed
EP-0169571-B1 PHENYLNONATETRAENIC-ACID DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-03-09 EP disclosed
US-4648996-A ANTIRHEUMATIC AGENTS, IMMUNOSUPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1987-03-10 US disclosed
EP-0169571-A1 Phenylnonatetraenic-acid derivatives, their preparation and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-01-29 EP disclosed
EP-0132651-A2 Use of cyclic phenol organosilane ester HÜLS AKTIENGESELLSCHAFT (DE) 1985-02-13 EP disclosed
US-4011321-A 6-(3-SUBSTITUTED AMINO-2-HYDROXYPROPOXYARYL)-4,5-DIHYDRO-3(2H)-PYRIDAZINONES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-03-08 US disclosed