SCHEMBL68177

SCHEMBL68177

O=C(Cl)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.67
CES1 P23141 2/20 0.67
SRD5A2 P31213 2/20 0.57
GSK3B P49841 2/20 0.55
PTPN1 P18031 2/20 0.55
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
KCNE1 P15382 1/20 0.49
KCNQ1 P51787 1/20 0.49
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
EPHX2 P34913 1/20 0.48
PTGS1 P23219 2/20 0.47
MMP1 P03956 1/20 0.47
TRPV1 Q8NER1 1/20 0.47

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
SCHEMBL2766866 0.94 SRD5A2 (0.68) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL3992424 0.94 CES2 (0.59) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL19970598 0.90 CES2 (0.55) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL8101663 0.87 KIF11 (0.64) CES2CES1SRD5A2
SCHEMBL7543655 0.85 CES2 (0.50) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL10895274 0.84 CES2 (0.46) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL10892992 0.84 CES2 (0.46) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL103721 0.82 CES2 (0.50) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL3269101 0.82 ESR1 (0.52) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL106525 0.82 CES2 (0.45) CES2CES1SRD5A2GSK3BPTPN1

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

Appears in 3318 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528777-B2 Quinazolinones derivatives for treatment of non-alcoholic fatty liver disease, preparation and use thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2026-01-20 US claimed
EP-3656763-B1 METHODS OF PREPARING TECOVIRIMAT SIGA TECH INC (US) 2025-12-17 EP claimed
CN-120081760-A For detecting ONOO-Near infrared fluorescent probe of (2), preparation method and application thereof 西北大学 2025-06-03 CN claimed
CN-120020114-A Preparation method of N-alkenyl amide compound 中国石油化工股份有限公司 2025-05-20 CN claimed
CN-120020115-A Process for the preparation of N- (alkyl-2-hydroxy) alkylamides and N-alkenylamides 中国石油化工股份有限公司 2025-05-20 CN claimed
CN-115920634-B Preparation method of self-contained microporous polymer nanofiltration membrane 浙江工业大学 2025-05-13 CN claimed
CN-119725552-A Flame-retardant composite current collector and preparation method thereof 艾姆西艾(宿迁)电池技术有限公司 2025-03-28 CN claimed
CN-116410106-B Benzamide HBV capsid protein inhibitor and preparation method and application thereof 山东第二医科大学 2024-12-06 CN claimed
CN-118619832-A Resveratrol-based fluorine-containing active ester compound and preparation method and application thereof 广东工业大学 2024-09-10 CN claimed
CN-118598750-A Fluorine-containing active ester compound and preparation method and application thereof 广东工业大学 2024-09-06 CN claimed
EP-1776327-A1 PROCESS FOR THE SYNTHESIS AND PURIFICATION OF (4-METHOXYBUTYL)(4-TRIFLUOROMETHYLPHENYL)METHANONE Lundbeck Pharmaceuticals Italy S.P.A. (IT) 2007-04-25 EP claimed
WO-2006002691-A1 PROCESS FOR THE SYNTHESIS AND PURIFICATION OF (4-METHOXYBUTYL) (4-TRIFLUOROMETHYLPHENYL)METHANONE LUNDBECK PHARMACEUTICALS ITALY S.P.A. (IT) 2006-01-12 WO claimed
US-5357005-A Reactive surface functionalization INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1994-10-18 US claimed
WO-1993014055-A1 PREPARATION OF 2,5-DICHLOROBENZOPHENONES MAXDEM INCORPORATED (US) 1993-07-22 WO claimed
US-5210313-A Friedel crafts aryloylation of 1,4-dichlorobenzene and Lewis acids MAXDEM INCORPORATED (US) 1993-05-11 US claimed
US-4620009-A CATALYTIC REDUCTION OF IMIDAZOLIN ONE DERIVATIVE CYANAMID AGRICULTURAL DE PUERTO RICO, INC. (US) 1986-10-28 US claimed
US-4581179-A Process for the preparation of trifluoromethylbenzoyl chlorides and bromides from trifluoromethylbenzoyl fluorides OCCIDENTAL CHEMICAL CORPORATION (US) 1986-04-08 US claimed
US-4500471-A REACTING TRICHLORO-OR TRIBROMOMETHYLBENZOYL HALIDES WITH HYDROGEN FLORIDE OCCIDENTAL CHEMICAL CORPORATION (US) 1985-02-19 US claimed
EP-0038223-B1 PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYLBENZOYL HALIDES OCCIDENTAL CHEMICAL CORPORATION (US) 1984-08-08 EP claimed
EP-0038223-A1 Process for the preparation of trifluoromethylbenzoyl halides OCCIDENTAL CHEMICAL CORPORATION (US) 1981-10-21 EP claimed