SCHEMBL769330

SCHEMBL769330

O=C1CCOc2ccc(F)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 1/20 0.58
MAOB P27338 5/20 0.50
GRM5 P41594 5/20 0.50
MAOA P21397 1/20 0.50
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP19A1 P11511 2/20 0.45
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NOTUM Q6P988 1/20 0.42
AKR1B10 O60218 1/20 0.41

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
SCHEMBL1484962 0.89 FABP6 (0.55) FABP6MAOBGRM5MAOAALDH1A1
SCHEMBL569174 0.85 MAOB (0.64) MAOBGRM5MAOAALDH1A1NPC1
SCHEMBL29758920 0.85 MAOB (0.64) MAOBGRM5MAOAALDH1A1NPC1
Hydrochloric Acid SCHEMBL27916588 0.84 MAOB (0.62) MAOBGRM5MAOAALDH1A1NPC1
SCHEMBL3152242 0.81 MEN1 (0.59) FABP6MAOBALDH1A1KDM4EL3MBTL1
SCHEMBL16789730 0.78 MAOB (0.50) FABP6MAOBGRM5MAOAALDH1A1
SCHEMBL10508276 0.78 FABP6 (0.50) FABP6MAOBGRM5ALDH1A1KDM4E
SCHEMBL2981516 0.78 MAOB (0.74) MAOBGRM5MAOAALDH1A1KDM4E
SCHEMBL4476431 0.78 MAOB (0.50) MAOBGRM5MAOAALDH1A1KDM4E
SCHEMBL10434491 0.78 KDM4E (0.51) FABP6MAOBGRM5ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110791483-B Short-chain reductase and preparation method and application thereof 西南交通大学 2022-11-29 CN claimed
CN-110791483-A Short-chain reductase and preparation method and application thereof 西南交通大学 2020-02-14 CN claimed
US-10092786-B2 Fire extinguishing composition comprising aldoketones compound XI'AN WESTPEACE FIRE TECHNOLOGY CO., LTD. (CN) 2018-10-09 US claimed
US-20160332016-A1 Fire Extinguishing Composition Comprising Aldoketones Compound NANO FIRE, LLC 2016-11-17 US claimed
US-4992564-A Preparation of 6-substituted 4-chromanones MALLINCKRODT, INC. (US) 1991-02-12 US claimed
US-4918203-A Preparation of 6-substituted 4-chromanones MALLINCKRODT INC. 1990-04-17 US claimed
EP-0228172-B1 PREPARATION OF 6-SUBSTITUTED 4-CHROMANONES Mallinckrodt, Inc. (a Delaware corporation) (US) 1990-03-07 EP claimed
EP-0168006-B1 PROCESS FOR PREPARING 3-(4-FLUOROPHENOXY)PROPIONITRILE AND A PROCESS FOR PREPARING 6-FLUORO-4-CHROMANONE USING 3-(4-FLUOROPHENOXY)PROPIONITRILE KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-12-27 EP claimed
EP-0179570-B1 REGENERATION OF 6-FLUORO-4-CHROMANONE FROM 6-FLUORO-4-UREIDOCHROMAN-4-CARBOXYLIC ACID PFIZER INC. (US) 1988-08-03 EP claimed
EP-0228172-A1 Preparation of 6-substituted 4-chromanones Mallinckrodt, Inc. (a Delaware corporation) (US) 1987-07-08 EP claimed
US-4625042-A Process for preparing 6-fluoro-4-chromanone using 3-(4-fluorophenoxy)propionitrile KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1986-11-25 US claimed
EP-0179570-A1 Regeneration of 6-fluoro-4-chromanone from 6-fluoro-4-ureidochroman-4-carboxylic acid PFIZER INC. (US) 1986-04-30 EP claimed
EP-0111387-B1 REGENERATION OF 6-FLUORO-4-CHROMANONE FROM BY-PRODUCTS IN THE SYNTHESIS OF SORBINIL PFIZER INC. (US) 1986-04-09 EP claimed
EP-0168006-A2 Process for preparing 3-(4-Fluorophenoxy)propionitrile and a process for preparing 6-fluoro-4-chromanone using 3-(4-fluorophenoxy)propionitrile KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1986-01-15 EP claimed
US-4551542-A Regeneration of 6-fluoro-4-chromanone from 6-fluoro-4-ureidochroman-4-carboxylic acid PFIZER INC. (US) 1985-11-05 US claimed
EP-0111387-A1 Regeneration of 6-fluoro-4-chromanone from by-products in the synthesis of sorbinil PFIZER INC. (US) 1984-06-20 EP claimed
US-4431828-A Regeneration of 6-fluoro-4-chromanone from by-products in the synthesis of sorbinil PFIZER INC. (US) 1984-02-14 US claimed
JP-61022058-A None JP disclosed
US-4130714-A SPIRO CHROMANS OR THIOCHROMANS PFIZER INC. (US) 1978-12-19 US disclosed
US-4117230-A ANTIDIABETIC AGENTS PFIZER INC. (US) 1978-09-26 US disclosed