SCHEMBL9149352

SCHEMBL9149352

COc1ccc(-c2ccc(C(C)=O)cc2)cc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
MAPK1 P28482 1/20 0.60
HTT P42858 1/20 0.60
RAB9A P51151 1/20 0.60
KIF11 P52732 1/20 0.58
AR P10275 1/20 0.52
ERN1 O75460 1/20 0.51
CD274 Q9NZQ7 1/20 0.50
CYP17A1 P05093 1/20 0.50
FFAR1 O14842 1/20 0.50
TDP2 O95551 1/20 0.48
HSD17B1 P14061 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
JAK2 O60674 1/20 0.46
NAAA Q02083 1/20 0.46
MGLL Q99685 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46

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
SCHEMBL30595083 0.87 LMNA (0.75) LMNAMAPK1HTTRAB9AAR
SCHEMBL3643490 0.87 LMNA (0.75) LMNAMAPK1HTTRAB9AAR
SCHEMBL313217 0.86 LMNA (0.73) LMNAMAPK1HTTRAB9AMAPT
SCHEMBL30837193 0.83 KIF11 (0.54) LMNAMAPK1HTTRAB9AKIF11
SCHEMBL31574541 0.83 KIF11 (0.61) LMNAMAPK1HTTRAB9AKIF11
SCHEMBL14611048 0.82 AR (0.52) LMNAMAPK1HTTRAB9AAR
SCHEMBL9464193 0.82 CYP17A1 (0.61) LMNAMAPK1HTTRAB9AERN1
SCHEMBL14499485 0.81 FFAR1 (0.49) LMNAKIF11FFAR1HSD17B1MAPT
SCHEMBL8913485 0.80 KIF11 (0.67) LMNARAB9AKIF11ERN1HSD17B1
SCHEMBL20312074 0.80 ERN1 (0.48) LMNAMAPK1HTTRAB9AAR

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO disclosed
US-5397504-A Liquid crystal KANTO KAGAKU KABUSHIKI KAISHA (JP) 1995-03-14 US disclosed
EP-0341686-B1 Novel halogen-containing ester compounds, and their intermediates, and method of producing the same as well as liquid crystal compositions containing the same and light switching elements JAPAN ENERGY CORP (JP) 1994-08-17 EP disclosed
US-5312564-A Halogen-containing, optically active liquid crystal compound and liquid crystal composition containing same CHISSO CORPORATION (JP) 1994-05-17 US disclosed
EP-0315701-B1 BIPHENYL COMPOUND KANTO KAGAKU (JP) 1993-12-29 EP disclosed
EP-0272115-B1 OPTICALLY ACTIVE LIQUID CRYSTALLINE BIPHENYL COMPOUND Chisso Corporation (JP) 1993-10-13 EP disclosed
EP-0188222-B1 NOVEL LIQUID CRISTALLINE COMPOUNDS HAVING SUBSTITUENTS DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-04-29 EP disclosed
US-5098602-A Aromatic ester derivatives and fluorophenol ketones NIPPON MINING CO., LTD. (JP) 1992-03-24 US disclosed
EP-0231853-B1 OPTICALLY ACTIVE CARBOXYLIC ACID DERIVATIVES AND LIQUID CRYSTALLINE COMPOSITIONS COMPRISING THEM DAINIPPON INK AND CHEMICALS, INC. (JP) 1990-11-22 EP disclosed
US-4943386-A FERROELECTRIC, GOOD RESPONSE AND MEMORY DAINIPPON INK & CHEMICALS, INC. (JP) 1990-07-24 US disclosed
US-4914224-A HIGH-SPEED RESPONSE, WIDE TEMPERATURE RANGE, CHIRAL SMECTIC PHASES DAINIPPON INK AND CHEMICALS, INC. (JP) 1990-04-03 US disclosed
US-4911862-A Aromatic carboxylic ester DAINIPPON INK AND CHEMICALS, INC. (JP) 1990-03-27 US disclosed
EP-0341686-A2 Novel halogen-containing ester compounds, and their intermediates, and method of producing the same as well as liquid crystal compositions containing the same and light switching elements JAPAN ENERGY CORPORATION (JP) 1989-11-15 EP disclosed
EP-0315701-A1 BIPHENYL COMPOUND KANTO KAGAKU KABUSHIKI KAISHA (JP) 1989-05-17 EP disclosed
US-4828754-A TILT-TYPE CHIRAL SMECTIC PHASE DAINIPPON INK & CHEMICALS, INC. (JP) 1989-05-09 US disclosed
US-4780242-A BIPHENYL ESTERS CHISSO CORPORATION (JP) 1988-10-25 US disclosed
US-4737313-A OPITICALLY ACTIVE CHISSO CORPORATION (JP) 1988-04-12 US disclosed
EP-0231853-A2 Optically active carboxylic acid derivatives and liquid crystalline compositions comprising them DAINIPPON INK AND CHEMICALS, INC. (JP) 1987-08-12 EP disclosed
EP-0197677-A2 Halogen-containing, optically active liquid crystal compound and liquid crystal composition containing same Chisso Corporation (JP) 1986-10-15 EP disclosed
EP-0188222-A2 Novel liquid cristalline compounds having substituents DAINIPPON INK AND CHEMICALS, INC. (JP) 1986-07-23 EP disclosed