SCHEMBL25273674

SCHEMBL25273674

CCCCCCCC(C)(C)NCCCS(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
EPHX1 P07099 8/20 0.39
PPARA Q07869 2/20 0.38
S1PR1 P21453 1/20 0.36
GGPS1 O95749 1/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
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
SCHEMBL15154746 1.00 EPHX2 (0.44) EPHX2CA2CA1EPHX1PPARA
SCHEMBL2638486 1.00 EPHX2 (0.44) EPHX2CA2CA1EPHX1PPARA
SCHEMBL15264198 1.00 EPHX2 (0.44) EPHX2CA2CA1EPHX1PPARA
Water SCHEMBL16395781 0.98 EPHX2 (0.43) EPHX2CA2CA1EPHX1PPARA
Water SCHEMBL6242366 0.98 EPHX2 (0.43) EPHX2CA2CA1EPHX1PPARA
Water SCHEMBL16395987 0.95 EPHX2 (0.47) EPHX2CA2CA1EPHX1PPARA
SCHEMBL10232056 0.93 EPHX2 (0.40) EPHX2CA2CA1EPHX1PPARA
SCHEMBL8504724 0.90 EPHX2 (0.43) EPHX2CA2CA1EPHX1PPARA
SCHEMBL11505829 0.88 EPHX2 (0.42) EPHX2CA2CA1EPHX1S1PR1
SCHEMBL11504761 0.88 EPHX2 (0.42) EPHX2CA2CA1EPHX1S1PR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240319190-A1 CHROMATOGRAPHY DEVELOPING SOLUTION, KIT, CHROMATOGRAPH DEVICE, AND METHOD FOR DETECTING TEST SUBSTANCE KANEKA CORPORATION (JP) 2024-09-26 US disclosed
WO-2023106263-A1 CHROMATOGRAPHY DEVELOPING SOLUTION, KIT, CHROMATOGRAPH DEVICE, AND METHOD FOR DETECTING TEST SUBSTANCE 株式会社カネカ 2023-06-15 WO disclosed