SCHEMBL7248169

SCHEMBL7248169

CC(C)(C)OC(=O)CCOc1cccc2c1S(O)(O)C=C2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL7248171 0.89 LMNA (0.34) TSHRLMNAALDH1A1DDB1CRBN
SCHEMBL7130434 0.88 DDB1 (0.41) TSHRLMNAALDH1A1DDB1CRBN
SCHEMBL7130438 0.76 DDB1 (0.42) TSHRLMNAALDH1A1DDB1CRBN
SCHEMBL7134639 0.73 USP2 (0.46) LMNAALDH1A1GAA
SCHEMBL7127902 0.73 KDM4E (0.46) LMNAALDH1A1KMT2A
SCHEMBL29418139 0.71 HTR7 (0.47) TSHRLMNAALDH1A1KMT2A
SCHEMBL2062838 0.69 SCN9A (0.39) TSHRLMNADDB1CRBNKMT2A
SCHEMBL4498456 0.69 L3MBTL1 (0.48) TSHRLMNAALDH1A1KMT2AGAA
SCHEMBL29418182 0.69 KDM4E (0.55) LMNAALDH1A1KMT2AGAA
SCHEMBL16713302 0.67 CYP1A2 (0.50) TSHRALDH1A1KMT2A

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-6555555-B1 Inhibitors of interleukin-6 and/or interleukin-12; for example 4,5-dimethyl-1,1-dioxidebenzo(b)thiophene; treating various inflammatory diseases, autoimmune diseases, cancer, osteoporosis ONO PHARMACEUTICAL CO., LTD. (JP) 2003-04-29 US disclosed