SCHEMBL457954

SCHEMBL457954

COc1ccc(CC(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.73
HTT P42858 2/20 0.73
LMNA P02545 1/20 0.73
KMT2A Q03164 2/20 0.66
GSK3B P49841 1/20 0.63
HDAC3 O15379 1/20 0.63
HDAC4 P56524 1/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC2 Q92769 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC11 Q96DB2 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
HDAC9 Q9UKV0 1/20 0.63
HDAC5 Q9UQL6 1/20 0.63
USP2 O75604 1/20 0.60
TP53 P04637 1/20 0.60
RAB9A P51151 2/20 0.59
PKM P14618 2/20 0.58

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
SCHEMBL6225326 0.93 NPC1 (0.65) NPC1HTTLMNAKMT2AGSK3B
SCHEMBL3097303 0.93 NPC1 (0.65) NPC1HTTLMNAKMT2AGSK3B
SCHEMBL12637609 0.93 NPC1 (0.65) NPC1HTTLMNAKMT2AGSK3B
SCHEMBL1420182 0.93 NPC1 (0.65) NPC1HTTLMNAKMT2AGSK3B
SCHEMBL3099733 0.93 NPC1 (0.65) NPC1HTTLMNAKMT2AGSK3B
SCHEMBL14157088 0.91 CA1 (0.70) NPC1HTTLMNAKMT2AGSK3B
SCHEMBL7854504 0.91 KMT2A (0.64) NPC1HTTLMNAKMT2AGSK3B
SCHEMBL3099798 0.91 NPC1 (0.63) NPC1HTTLMNAKMT2AGSK3B
SCHEMBL6203838 0.91 KMT2A (0.64) NPC1HTTLMNAKMT2AGSK3B
SCHEMBL6201733 0.91 NPC1 (0.63) NPC1HTTLMNAKMT2AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109438382-B Dibenzoxazine monomer based on deoxyp-anisoin and preparation method thereof 江苏大学 2022-04-26 CN claimed
CN-112076749-A Catalyst for preparing liquid fuel by hydrogenating and deoxidizing lignin oil and preparation method and application thereof 中国科学院广州能源研究所 2020-12-15 CN claimed
CN-111234211-A Benzoxazine intrinsic flame-retardant resin and preparation method thereof 淮北绿洲新材料有限责任公司 2020-06-05 CN claimed
US-7074770-B1 Method of DNA vaccination SMITHKLINE BEECHAM CORPORATION (US) 2006-07-11 US claimed
EP-1107785-A1 METHOD OF DNA VACCINATION GLAXO GROUP LIMITED (GB) 2001-06-20 EP claimed
US-6040484-A HYDROXYLATION OF PHENOLIC COMPOUNDS USING HYDROGEN PEROXIDE AND A CATALYST OF AT LEAST ONE RARE EARTH OR BISMUTH TRIFLATE; CATALYST SELECTIVITY RHODIA CHIMIE (FR) 2000-03-21 US claimed
WO-2000012121-A1 METHOD OF DNA VACCINATION GLAXO GROUP LIMITED (GB) 2000-03-09 WO claimed
EP-0026928-B1 3,4-DIARYLISOXAZOL-5-ACETIC ACID COMPOUNDS, PROCESS FOR PREPARING THE SAME, AND PHARMACEUTICALS CONTAINING THE SAME CDC Life Sciences Inc. (CA) 1984-01-25 EP claimed
US-4327222-A REACTING AN ARYL SUBSTITUTED KETONE WITH HYDROXYLAMINE TO FORM OXIME, THEN CYCLIZATION WITH BUTYLLITHIUM CDC LIFE SCIENCES INC. (CA) 1982-04-27 US claimed
EP-0026928-A1 3,4-Diarylisoxazol-5-acetic acid compounds, process for preparing the same, and pharmaceuticals containing the same CDC Life Sciences Inc. (CA) 1981-04-15 EP claimed
JP-11035539-A None JP disclosed
JP-5279311-A None JP disclosed
JP-11152274-A None JP disclosed
JP-9328472-A None JP disclosed
JP-2030584-A None JP disclosed
US-4160088-A HALOGENATION OF KETONE, ALKANOL, HYDROLYSIS GENERAL ELECTRIC COMPANY (US) 1979-07-03 US disclosed
US-4158094-A BLOWING AGENTS GENERAL ELECTRIC COMPANY (US) 1979-06-12 US disclosed
US-4097671-A 5-PHENYL-3,6-DIHYDRO-1,3,4-OXADIAZIN-2-ONE, THERMOPLASTIC POLYMER BLOWING AGENT GENERAL ELECTRIC COMPANY (US) 1978-06-27 US disclosed
US-4086373-A Protective polymeric coating for glass substrate OWENS-ILLINOIS, INC. (US) 1978-04-25 US disclosed
US-4056665-A Composition and process OWENS-ILLINOIS, INC. (US) 1977-11-01 US disclosed