SCHEMBL6011810

SCHEMBL6011810

CCCC(Oc1ccc(OC(CCC)S(=O)(=O)O)cc1)S(=O)(=O)O.CCCCOc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.51
ALOX5 P09917 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
FAAH O00519 4/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TSHR P16473 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CTRC Q99895 1/20 0.44
KAT6A Q92794 1/20 0.44

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
SCHEMBL5584059 0.94 TSHR (0.49) LTA4HCA12CA1CA2TSHR
SCHEMBL5704304 0.90 SMN1; SMN2 (0.42) PPARGPPARA
SCHEMBL6011914 0.88 SMN1; SMN2 (0.41) PPARGPPARA
SCHEMBL9221213 0.84 CTRC (0.46) CTRC
SCHEMBL9216951 0.84 CTRC (0.46) CTRC
SCHEMBL9449525 0.84 CTRC (0.46) CTRC
SCHEMBL5583892 0.83 KMT2A (0.39) PPARGPPARACA1CA2TSHR
SCHEMBL5833438 0.83 CTRC (0.46) CTRC
SCHEMBL3849276 0.82 CA2 (0.40) ALOX5PPARGPPARACA2CTRC
SCHEMBL3840813 0.80 CTRC (0.43) CTRC

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-6989212-B2 Fuel cell, polyelectrolyte and ion-exchange resin used for same HITACHI, LTD. (JP) 2006-01-24 US disclosed