SCHEMBL8489381

SCHEMBL8489381

COCCOc1c(Br)ccc(C(=O)O)c1S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.34
TNFRSF1A P19438 1/20 0.34
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
S1PR3 Q99500 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8492762 0.85 MAPT (0.40) HSD17B10TSHRMAPK1ALOX15MAPT
SCHEMBL8492263 0.83 HSD17B10 (0.46) HSD17B10TSHRLCKFYNALOX15
SCHEMBL9733862 0.80 HSD17B10 (0.37) HSD17B10TSHRMAPK1LCKFYN
SCHEMBL9565408 0.74 PDE4B (0.33)
SCHEMBL646150 0.74 PTGER4 (0.35) TSHRMAPK1PRKAB2PRKAG1PRKAA2
SCHEMBL7976218 0.73 PRKAB2 (0.37) MAPK1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4430478 0.72 BCAT2 (0.42) HSD17B10TSHRMAPK1ALOX15SMN1; SMN2
SCHEMBL9194829 0.72 MAPT (0.37) HSD17B10TSHRMAPK1S1PR3MAPT
SCHEMBL16035002 0.70 HDAC3 (0.38) HSD17B10TSHRMAPK1THRBALOX15
SCHEMBL19512251 0.70 KDM4E (0.40) HSD17B10TSHRMAPK1LCKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed