SCHEMBL9765329

SCHEMBL9765329

CC(C)(NS(=O)(=O)c1ccccc1)c1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
UQCRB P14927 3/20 0.50
DUT P33316 1/20 0.50
ESR2 Q92731 3/20 0.47
ESR1 P03372 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.46
NR3C2 P08235 1/20 0.46
CYTH2 Q99418 1/20 0.45
BCAT1 P54687 1/20 0.45
HSD17B2 P37059 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL6903823 0.88 NR3C2 (0.53) MEN1KMT2ADUTALDH1A1CYP2C19
SCHEMBL15199347 0.85 UQCRB (0.53) MEN1KMT2AUQCRBALDH1A1CYTH2
SCHEMBL9513604 0.85 ESR2 (0.50) MEN1KMT2AUQCRBESR2ESR1
SCHEMBL10448561 0.83 KEAP1 (0.53) MEN1KMT2ADUTALDH1A1CYP3A4
SCHEMBL21690373 0.80 DUT (0.56) DUTALDH1A1CYP2C19NR3C2NAMPT
SCHEMBL1409455 0.80 DUT (0.56) DUTALDH1A1CYP2C19NR3C2NAMPT
SCHEMBL10448367 0.78 CA2 (0.55) MEN1KMT2ADUTALDH1A1NR3C2
SCHEMBL18726029 0.78 CA12 (0.54) MEN1KMT2AALDH1A1CYP3A4CYP2C19
SCHEMBL27827531 0.77 DUT (0.54) MEN1KMT2ADUTALDH1A1CYP2C19
SCHEMBL9707019 0.76 ALDH1A1 (0.49) MEN1KMT2AESR1ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255728-B1 PHENOXYACETIC ACID COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITION AND USE TANABE SEIYAKU CO., LTD. (JP) 1991-11-27 EP disclosed
US-4866196-A ANTICOAGULANTS TANABE SEIYAKU CO., LTD. (JP) 1989-09-12 US disclosed
EP-0255728-A2 Phenoxyacetic acid compounds, their preparation, pharmaceutical composition and use TANABE SEIYAKU CO., LTD. (JP) 1988-02-10 EP disclosed