SCHEMBL8941539

SCHEMBL8941539

CC(C)(c1ccccc1)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.54
PTGS2 P35354 5/20 0.49
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
SOS1 Q07889 1/20 0.47
KIF11 P52732 1/20 0.47
PTGS1 P23219 2/20 0.44
PGR P06401 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ESR1 P03372 1/20 0.43
CYP3A4 P08684 1/20 0.43
ESR2 Q92731 1/20 0.43
NPY2R P49146 1/20 0.42

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
SCHEMBL8941579 0.93 SMN1; SMN2 (0.46) NR3C2PTGS2HTTSMN1; SMN2LMNA
SCHEMBL2758535 0.87 HTT (0.51) PTGS2HTTSMN1; SMN2LMNAPTGS1
Sulfuric Acid SCHEMBL29687373 0.86 NR3C2 (0.53) NR3C2HTTSMN1; SMN2LMNASOS1
SCHEMBL3020464 0.85 HTT (0.62) NR3C2HTTSMN1; SMN2LMNASOS1
Sulfuric Acid SCHEMBL29982666 0.84 ALDH1A1 (0.52) NR3C2HTTSMN1; SMN2LMNASOS1
SCHEMBL19362023 0.84 HTT (0.57) NR3C2HTTSMN1; SMN2LMNASOS1
SCHEMBL7359540 0.84 SOS1 (0.64) PTGS2HTTSMN1; SMN2LMNASOS1
SCHEMBL10760022 0.84 ALDH1A1 (0.58) NR3C2HTTSMN1; SMN2ALDH1A1ESR1
SCHEMBL11226988 0.84 ALDH1A1 (0.58) NR3C2HTTSMN1; SMN2ALDH1A1ESR1
SCHEMBL2758530 0.83 PTGS2 (0.50) PTGS2HTTSMN1; SMN2PTGS1

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 1 patent. 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