SCHEMBL8941513

SCHEMBL8941513

CS(=O)(=O)c1ccc(Oc2cccc(Oc3ccc(S(C)(=O)=O)cc3)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
PTGS2 P35354 2/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
GCK P35557 2/20 0.50
PGR P06401 2/20 0.50
MEN1 O00255 1/20 0.50
MITF O75030 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
GFER P55789 1/20 0.50
KMT2A Q03164 1/20 0.50
NLRP1 Q9C000 1/20 0.50
NOD2 Q9HC29 1/20 0.50
SOS1 Q07889 1/20 0.50
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47

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
SCHEMBL9987196 0.88 GCK (0.62) HTTTDP1L3MBTL1PTGS2GCK
SCHEMBL1277196 0.88 HTT (0.50) HTTTDP1L3MBTL1PTGS2SMN1; SMN2
SCHEMBL7359540 0.88 SOS1 (0.64) HTTPTGS2SMN1; SMN2LMNAPGR
SCHEMBL11547843 0.87 HTT (0.58) HTTPTGS2SMN1; SMN2LMNAALDH1A1
SCHEMBL5983605 0.87 HTT (0.47) HTTTDP1L3MBTL1PTGS2SMN1; SMN2
SCHEMBL8941548 0.87 PTGS2 (0.50) HTTTDP1L3MBTL1PTGS2GCK
SCHEMBL8941664 0.86 NR3C1 (0.53) HTTTDP1L3MBTL1PTGS2LMNA
SCHEMBL1107731 0.84 AKR1C3 (0.68) ALDH1A1GCK
SCHEMBL12742907 0.84 GCK (0.56) HTTTDP1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL14018981 0.82 NR1H2 (0.55) HTTTDP1L3MBTL1PTGS2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480568-A FOR LUBRICATING METAL CONTAINING SURFACES THE DOW CHEMICAL COMPANY (US) 1996-01-02 US claimed
US-5480568-A FOR LUBRICATING METAL CONTAINING SURFACES THE DOW CHEMICAL COMPANY (US) 1996-01-02 US disclosed