SCHEMBL7581633

SCHEMBL7581633

CC(C)Oc1cc(C=O)c(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 3/20 0.42
CSNK2A1 P68400 2/20 0.38
RORC P51449 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
GAA P10253 1/20 0.35
MAP2 P11137 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ERN1 O75460 1/20 0.34
NR1I2 O75469 1/20 0.34
ALDH1A3 P47895 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 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
SCHEMBL7583020 0.83 PPOX (0.40) PPOXCSNK2A1RORCKDM4EALDH1A1
SCHEMBL836861 0.81 ALDH1A1 (0.52) PPOXKDM4EALDH1A1TSHRPOLB
SCHEMBL87864 0.80 ALDH1A1 (0.52) KDM4EALDH1A1TSHRHPGDHSD17B10
SCHEMBL29616028 0.77 PRKDC (0.40) KDM4EALDH1A1TSHRPOLBTDP1
SCHEMBL22836211 0.77 PRKDC (0.40) KDM4EALDH1A1TSHRPOLBTDP1
SCHEMBL24556341 0.77 TYR (0.41) CSNK2A1RORCKDM4EALDH1A1TSHR
SCHEMBL3463352 0.76 LMNA (0.51) KDM4EALDH1A1TSHRPOLBTDP1
SCHEMBL30296814 0.76 ALDH1A1 (0.52) RORCKDM4EALDH1A1TSHRHPGD
SCHEMBL16727184 0.75 PPOX (0.43) PPOXCSNK2A1RORCKDM4EALDH1A1
SCHEMBL19088281 0.74 CSNK2A1 (0.44) PPOXCSNK2A1RORCKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242634-B1 OF HERBICIDES, HALOPHENYL COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-05 US claimed
EP-1244635-A2 4-ARYL-1-DIFLUOROMETHOXYIMIDAZOLE BASF AKTIENGESELLSCHAFT (DE) 2002-10-02 EP disclosed
WO-2001049668-A2 4-ARYL-1-DIFLUOROMETHOXYIMIDAZOLES AND USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-07-12 WO disclosed
US-6242634-B1 OF HERBICIDES, HALOPHENYL COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-05 US disclosed
US-6100257-A 2-HALOALKYL,3-(HALOALKYL, ALKENYL, OR ALKYNYL),5-(SUBSTITUTED PHENYL OR HETEROCYCLE),6-ALKYL-PYRIMIDIN-4-ONE COMPOUNDS OF GIVEN STRUCTURE; USE AS HERBICIDES SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-08-08 US disclosed
EP-0850229-A1 PYRIMIDIN-4-ONE DERIVATIVES, THEIR USE AS HERBICIDES, INTERMEDIATES FOR THEIR PRODUCTION AND PROCESSES FOR PRODUCING THESE COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-07-01 EP disclosed
WO-1997006150-A1 PYRIMIDIN-4-ONE DERIVATIVES, THEIR USE AS HERBICIDES, INTERMEDIATES FOR THEIR PRODUCTION AND PROCESSES FOR PRODUCING THESE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-02-20 WO disclosed