SCHEMBL11326328

SCHEMBL11326328

CCCCCCCCCCCCCNS(C)(=O)=O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.64
CA2 P00918 5/20 0.59
CA1 P00915 4/20 0.59
EPHX1 P07099 3/20 0.57
CA12 O43570 2/20 0.54
CA7 P43166 2/20 0.54
CA14 Q9ULX7 2/20 0.54
CA9 Q16790 1/20 0.48
ADH1B P00325 1/20 0.46
ADH1C P00326 1/20 0.46
ADH1A P07327 1/20 0.46
ADH4 P08319 1/20 0.46
ADH7 P40394 1/20 0.46
RELA Q04206 4/20 0.46

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
SCHEMBL1704321 1.00 PPARA (0.64) PPARACA2CA1EPHX1CA12
SCHEMBL5020900 1.00 PPARA (0.64) PPARACA2CA1EPHX1CA12
SCHEMBL1703464 1.00 PPARA (0.64) PPARACA2CA1EPHX1CA12
SCHEMBL10312301 1.00 PPARA (0.64) PPARACA2CA1EPHX1CA12
SCHEMBL2694822 1.00 PPARA (0.64) PPARACA2CA1EPHX1CA12
SCHEMBL1679669 1.00 PPARA (0.64) PPARACA2CA1EPHX1CA12
SCHEMBL11335730 1.00 PPARA (0.64) PPARACA2CA1EPHX1CA12
SCHEMBL5696662 1.00 PPARA (0.64) PPARACA2CA1EPHX1CA12
Bromide SCHEMBL5709142 0.98 PPARA (0.61) PPARACA2CA1EPHX1CA12
SCHEMBL327308 0.97 PPARA (0.60) PPARACA2CA1EPHX1CA12

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-4260497-A DETERGENTS COLGATE-PALMOLIVE COMPANY (US) 1981-04-07 US disclosed