SCHEMBL11048869

SCHEMBL11048869

O=S(=O)(Cc1ccc(O)cc1)c1ccc(S(=O)(=O)Cc2ccc(O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.55
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 1/20 0.50
CA1 P00915 4/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
ENPP2 Q13822 1/20 0.48
MAPT P10636 2/20 0.47
PSIP1 O75475 1/20 0.47
ABAT P80404 1/20 0.46
KMT2A Q03164 1/20 0.46
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
FNTA P49354 1/20 0.42
FNTB P49356 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
SCHEMBL21510835 1.00 CA2 (0.55) CA2TSHRHSD17B10LMNACA1
SCHEMBL5002569 0.90 MAPT (0.57) CA2TSHRHSD17B10LMNAENPP2
SCHEMBL28887988 0.90 MAPT (0.57) CA2TSHRHSD17B10LMNAENPP2
SCHEMBL2922447 0.90 POLB (0.49) CA2TSHRHSD17B10LMNACA1
SCHEMBL11114440 0.90 MAPT (0.61) CA2TSHRHSD17B10LMNAMAPT
SCHEMBL2921402 0.90 TSHR (0.68) CA2TSHRHSD17B10LMNACA1
SCHEMBL5010591 0.86 KIF11 (0.50) CA2TSHRHSD17B10KMT2A
SCHEMBL9115481 0.84 TSHR (0.51) CA2TSHRHSD17B10LMNACA1
SCHEMBL8355889 0.78 CA2 (0.75) CA2HSD17B10LMNACA1CA12
SCHEMBL2717291 0.78 ESR1 (0.50) CA2HSD17B10LMNACA1CA12

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
EP-0143407-A2 Process for preparing aromatic polyethers HOECHST AKTIENGESELLSCHAFT (DE) 1985-06-05 EP disclosed