SCHEMBL11275464

SCHEMBL11275464

O=C(c1ccc(OCCCS(=O)(=O)O)cc1)c1ccc(OCCCS(=O)(=O)O)cc1.[NaH].[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.52
POLB P06746 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PKM P14618 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 1/20 0.52
ALOX15 P16050 1/20 0.52
BRCA1 P38398 1/20 0.52
HTT P42858 1/20 0.52
GMNN O75496 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
HIF1A Q16665 1/20 0.52
GAA P10253 2/20 0.51
PPARA Q07869 2/20 0.51

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
SCHEMBL5981994 0.93 ALDH1A1 (0.56) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL6267331 0.92 GAA (0.64) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL16713448 0.91 GAA (0.62) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL11496759 0.88 PPARA (0.62) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL4872642 0.87 ALDH1A1 (0.54) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL28030079 0.86 ALDH1A1 (0.55) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL5583900 0.85 ALDH1A1 (0.53) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL15629592 0.85 L3MBTL1 (0.71) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL11680927 0.84 MAPT (0.68) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL11480102 0.82 LTA4H (0.50) ALDH1A1LMNAPOLBRAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4316838-A SALT OF AN ETHER SULFONATE TEIJIN CHEMICALS LTD. (JP) 1982-02-23 US disclosed
US-4285855-A A POLYCARBONATE BASED ON A DIHYDRIC PHENOL AND A COMPOUND OR RESIN HAVING CARBONATE GROUPS AND ALKALI OR ALKALINE METAL SULFONATE GROUPS TEIJIN CHEMICALS LTD. (JP) 1981-08-25 US disclosed
US-4222910-A SULFURIC ESTER OF AN ALCOHOL OR A METAL SULFONATE COMPOUND TEIJIN CHEMICALS, LTD. (JP) 1980-09-16 US disclosed