SCHEMBL564118

SCHEMBL564118

O=C(O)C(=Cc1ccccc1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.50
AKR1C1 Q04828 1/20 0.48
CYP2C9 P11712 2/20 0.44
CYP3A4 P08684 1/20 0.44
CES1 P23141 2/20 0.43
TP53 P04637 1/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MCL1 Q07820 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HDAC3 O15379 1/20 0.39
TNKS O95271 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL8054477 1.00 AKR1C3 (0.50) AKR1C3AKR1C1CYP2C9CYP3A4CES1
SCHEMBL7146881 1.00 AKR1C3 (0.50) AKR1C3AKR1C1CYP2C9CYP3A4CES1
Hydrochloric Acid SCHEMBL6510831 0.98 AKR1C3 (0.48) AKR1C3AKR1C1CYP2C9CYP3A4CES1
SCHEMBL563850 0.86 AKR1C3 (0.48) AKR1C3AKR1C1CYP2C9CYP3A4CES1
SCHEMBL6510379 0.84 MCL1 (0.49) AKR1C3AKR1C1CYP2C9CYP3A4CES1
SCHEMBL6510824 0.84 CES1 (0.45) AKR1C3AKR1C1CYP2C9CYP3A4CES1
SCHEMBL17813268 0.84 AKR1C3 (0.52) AKR1C3AKR1C1CES1HTTALDH1A1
SCHEMBL7564827 0.84 MCL1 (0.49) AKR1C3AKR1C1CYP2C9CYP3A4CES1
SCHEMBL22123624 0.82 ALDH1A1 (0.50) AKR1C3AKR1C1CYP2C9HTTALDH1A1
SCHEMBL14948652 0.82 AKR1C3 (0.43) AKR1C3CYP3A4CES1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118874517-A Small-molecule modified inorganic nonmetallic catalyst carbon nitride and preparation method and application thereof 杭州师范大学 2024-11-01 CN claimed
CN-121292916-A Thermal-insulation energy-saving environment-friendly ecological wallboard and preparation method thereof 临沂市天泽沅生态木有限公司 2026-01-09 CN disclosed
CN-118955818-A Polyacrylamide for oil displacement and preparation method and application thereof 胜利油田方圆化工有限公司 2024-11-15 CN disclosed
CN-118874517-A Small-molecule modified inorganic nonmetallic catalyst carbon nitride and preparation method and application thereof 杭州师范大学 2024-11-01 CN disclosed
CN-118874517-A Small-molecule modified inorganic nonmetallic catalyst carbon nitride and preparation method and application thereof 杭州师范大学 2024-11-01 CN disclosed
CN-114835581-B Method for synthesizing p-methoxy cinnamic acid ester by synergistic catalysis of small molecule free guanidine and N-methyl-2-pyrrolidone 常州大学 2023-09-22 CN disclosed
CN-113429398-B Acetophenone oxime ester imidazole derivatives and preparation method and application thereof 西北农林科技大学 2022-07-22 CN disclosed
CN-114230519-A Pleuromutilin cinnamate compounds with drug-resistant bacterium resisting activity and synthesis method and application thereof 陕西科技大学 2022-03-25 CN disclosed
CN-104478736-A Cinacalcet hydrochloride preparation method CHENGDU QITAI PHARMACEUTICAL TECHNOLOGY CO LTD 2015-04-01 CN disclosed
US-8609318-B2 Radiation-sensitive resin composition, method for forming resist pattern and polymer JSR CORPORATION (JP) 2013-12-17 US disclosed
WO-2003064411-A1 AMIDES OF AMINOALKYL-SUBSTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES NOVO NORDISK A/S (DK) 2003-08-07 WO disclosed
EP-1309590-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2003-05-14 EP disclosed
EP-1100495-A4 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORP (US) 2002-09-25 EP disclosed
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP disclosed
WO-2001098299-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO disclosed
CN-1314906-A Salts of paroxetine SMITHKLINE BEECHAM PLC (GB) 2001-09-26 CN disclosed
EP-1100495-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO disclosed
US-6025349-A ANTIARRHYTHMIC PROPERTIES, HOECHST AKTIENGESELLSCHAFT (DE) 2000-02-15 US disclosed
WO-2000006153-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed