SCHEMBL7779152

SCHEMBL7779152

Cc1cc(C(=O)CC(=O)C(F)(F)F)c(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.41
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
PLOD3 O60568 2/20 0.37
PLOD1 Q02809 2/20 0.37
SCN9A Q15858 4/20 0.36
KDM4E B2RXH2 1/20 0.36
PPARG P37231 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4615347 0.86 PLOD2 (0.45) PLOD2POLBAPEX1PLOD3PLOD1
SCHEMBL8547285 0.79 KDM4E (0.42) POLBAPEX1SCN9AKDM4EPPARG
SCHEMBL28941683 0.78 KDM4E (0.34) POLBAPEX1SCN9AKDM4EPPARG
SCHEMBL7162469 0.78 MEN1 (0.41) KDM4EGAAMEN1KMT2ACYP1A2
SCHEMBL1691913 0.78 KDM4E (0.39) POLBAPEX1SCN9AKDM4EPPARG
SCHEMBL31066610 0.78 KDM4E (0.39) POLBAPEX1SCN9AKDM4EPPARG
SCHEMBL1348683 0.74 PLOD2 (0.54) PLOD2PLOD3PLOD1MEN1KMT2A
SCHEMBL22407062 0.73 PLOD2 (0.37) PLOD2PLOD3PLOD1
SCHEMBL8183434 0.73 KDM4E (0.42) POLBAPEX1SCN9AKDM4EPPARG
SCHEMBL2075295 0.73 KDM4E (0.42) POLBAPEX1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772580-B1 BENZOYL DERIVATIVES AND SYNTHESIS THEREOF MONSANTO TECHNOLOGY LLC (US) 2001-09-12 EP claimed
EP-0772580-A1 BENZOYL DERIVATIVES AND SYNTHESIS THEREOF MONSANTO COMPANY (US) 1997-05-14 EP claimed
US-5532416-A ACYLATION OF FLUORO HALO ALKYLBENZOYL COMPOUNDS FOR HERBICIDES MONSANTO COMPANY (US) 1996-07-02 US claimed
WO-1996002486-A1 BENZOYL DERIVATIVES AND SYNTHESIS THEREOF MONSANTO COMPANY (US) 1996-02-01 WO claimed
WO-2021082901-A1 PHENYLISOXAZOLINE COMPOUND AND USE THEREOF 沈阳中化农药化工研发有限公司 2021-05-06 WO disclosed
EP-0772580-B1 BENZOYL DERIVATIVES AND SYNTHESIS THEREOF MONSANTO TECHNOLOGY LLC (US) 2001-09-12 EP disclosed
US-6150303-A Substituted 3-phenylisoxazolines BASF AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
EP-0998468-A1 SUBSTITUTED 3-PHENYL ISOXAZOLINES BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
WO-1999005130-A1 SUBSTITUTED 3-PHENYL ISOXAZOLINES BASF AKTIENGESELLSCHAFT (DE) 1999-02-04 WO disclosed
US-5866723-A INTERMEDIATES FOR AN ACTIVE CLASS OF ARYL-HALOALKYLPYRAZOLE AND ARYL ALKYLSULFONYLPYRAZOLE HERBICIDES. MONSANTO COMPANY (US) 1999-02-02 US disclosed
US-5654490-A LEWIS ACID CATALYZED ALKYLATION OF A PHENYL FLUORIDE WITH A HALOGENATED ALKYL ETHER, HYDROLYSIS TO FORM A 2-FLUORO-BENZALDEHYDE MONSANTO COMPANY (US) 1997-08-05 US disclosed
EP-0772580-A1 BENZOYL DERIVATIVES AND SYNTHESIS THEREOF MONSANTO COMPANY (US) 1997-05-14 EP disclosed
US-5532416-A ACYLATION OF FLUORO HALO ALKYLBENZOYL COMPOUNDS FOR HERBICIDES MONSANTO COMPANY (US) 1996-07-02 US disclosed
WO-1996002486-A1 BENZOYL DERIVATIVES AND SYNTHESIS THEREOF MONSANTO COMPANY (US) 1996-02-01 WO disclosed