SCHEMBL8465883

SCHEMBL8465883

CCOc1c(S(C)(=O)=O)ccc(C(=O)O)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.39
ACLY P53396 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 1/20 0.36
HTT P42858 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ABL1 P00519 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL29002972 0.87 LMNA (0.33) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL8464103 0.87 IKBKB (0.37) IKBKBACLYALDH1A1HSD17B10L3MBTL1
SCHEMBL646150 0.84 PTGER4 (0.35) ALDH1A1TSHRMAPT
SCHEMBL1358599 0.83 TDP1 (0.44) ACLYALDH1A1HSD17B10KDM4ETSHR
SCHEMBL28274071 0.82 HSD17B10 (0.48) ALDH1A1HSD17B10HPGDKDM4EL3MBTL1
SCHEMBL1358050 0.82 NPSR1 (0.34) ACLYALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL7949524 0.79 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDKDM4ETSHR
SCHEMBL8465758 0.79 KMT2A (0.34) IKBKBALDH1A1TSHRMEN1KMT2A
SCHEMBL1356924 0.78 ALDH1A1 (0.34) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL17644154 0.78 HSD17B10 (0.42) ALDH1A1HSD17B10HPGDKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999021842-A1 HERBICIDAL 4-BENZOYLISOXAZOLES DERIVATIVES ZENECA LIMITED (GB) 1999-05-06 WO disclosed
US-5863865-A APPLYING PLANT GROWTH REGULATOR TO AN AREA WHERE SUCH CONTROL IS DESIRED ZENECA LIMITED (GB) 1999-01-26 US disclosed
EP-0639173-A1 CERTAIN 2-(2'METHYL-3',4'-TRISUBSTITUTED BENZOYL)-1,3-CYCLOHEXANEDIONES ZENECA LIMITED (GB) 1995-02-22 EP disclosed
US-5329041-A For herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-07-12 US disclosed
EP-0639173-A4 CERTAIN 2-(2'METHYL-3',4'-TRISUBSTITUTED BENZOYL)-1,3-CYCLOHEXANEDIONES. ZENECA LTD (GB) 1993-09-17 EP disclosed
WO-1992012953-A1 CERTAIN 2-(2'METHYL-3',4'-TRISUBSTITUTED BENZOYL)-1,3-CYCLOHEXANEDIONES ZENECA LIMITED (GB) 1992-08-06 WO disclosed
WO-1992012957-A1 TRISUBSTITUTED BENZOIC ACID INTERMEDIATES NGUYEN NHAN H (US) 1992-08-06 WO disclosed
US-5110979-A Trisubstituted benzoic acid intermediates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-05 US disclosed