SCHEMBL11297221

SCHEMBL11297221

O=S(=O)(c1ccc(O)c(-c2ccccc2)c1Oc1ccccc1)c1ccc(O)c(-c2ccccc2)c1Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
GAPDH P04406 1/20 0.38
PDE4B Q07343 4/20 0.38
PDE4A P27815 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
CA9 Q16790 3/20 0.38
SOS1 Q07889 1/20 0.38
LTA4H P09960 1/20 0.35
NR1H2 P55055 1/20 0.35
BAX Q07812 1/20 0.35
HTT P42858 2/20 0.35
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11291672 0.93 CA1 (0.35) CA1CA2CA12CA7CA13
SCHEMBL980809 0.77 TTR (0.45) PDE4BPDE4APDE4CPDE4DLTA4H
SCHEMBL711861 0.77 CA1 (0.44) CA1CA2CA12CA7CA13
SCHEMBL11292325 0.77 PDE4B (0.38) CA1CA2CA12CA7CA13
SCHEMBL11297225 0.75 ACLY (0.40) POLBSMN1; SMN2KDM4EHSD17B10MEN1
SCHEMBL9459889 0.73 HTT (0.41) HTTPOLBGAAGFERALDH1A1
SCHEMBL9460314 0.73 POLB (0.39) CA1CA2HTTPOLBGAA
SCHEMBL6735347 0.73 CA1 (0.41) CA1CA2CA12CA7CA13
SCHEMBL11290834 0.73 POLB (0.46) CA1CA2CA12CA7CA13
SCHEMBL983374 0.70 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DLTA4H

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-4356325-A Process for preparation of acetylene terminated sulfones, oligomers and precursors therefor GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-10-26 US claimed