SCHEMBL4953563

SCHEMBL4953563

CCCCCCCCCCCC(CC)(CC)NCCCS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
EPHX1 P07099 9/20 0.38
PPARA Q07869 2/20 0.37
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
GGPS1 O95749 1/20 0.33
S1PR1 P21453 1/20 0.33
FDPS P14324 2/20 0.33
CASP2 P42575 1/20 0.33

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
Water SCHEMBL16396050 0.98 EPHX2 (0.42) EPHX2CA2CA1EPHX1PPARA
Water SCHEMBL16395983 0.95 EPHX2 (0.46) EPHX2CA2CA1EPHX1PPARA
SCHEMBL355425 0.84 APP (0.38) EPHX2CA2CA1
SCHEMBL9206460 0.84 EPHX1 (0.42) EPHX1PPARAGGPS1FDPS
SCHEMBL9213836 0.84 EPHX1 (0.42) EPHX1PPARAGGPS1FDPS
Hydrochloric Acid SCHEMBL11863080 0.82 EPHX1 (0.41) EPHX1
SCHEMBL25273674 0.82 EPHX2 (0.44) EPHX2CA2CA1EPHX1PPARA
SCHEMBL15154746 0.82 EPHX2 (0.44) EPHX2CA2CA1EPHX1PPARA
SCHEMBL15264198 0.82 EPHX2 (0.44) EPHX2CA2CA1EPHX1PPARA
SCHEMBL2638486 0.82 EPHX2 (0.44) EPHX2CA2CA1EPHX1PPARA

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-20080025993-A1 Method for Refolding Neisserial Nspa Protein GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2008-01-31 US disclosed