SCHEMBL7160664

SCHEMBL7160664

CCCCCC(=O)C[S+]1CCSCC1.CCCCS(=O)(=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
CES2 O00748 4/20 0.33
CES1 P23141 4/20 0.33
HAO1 Q9UJM8 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL7163659 0.99 EPHX2 (0.38) EPHX2CES2CES1HAO1MAPT
SCHEMBL7159920 0.96 EPHX2 (0.40) EPHX2CES2CES1HAO1MAPT
SCHEMBL7159565 0.96 EPHX2 (0.40) EPHX2CES2CES1HAO1MAPT
SCHEMBL7157272 0.96 EPHX2 (0.34) EPHX2CES2CES1
SCHEMBL7159846 0.93 EPHX2 (0.40) EPHX2CES2CES1HAO1MAPT
SCHEMBL7159591 0.93 EPHX2 (0.34) EPHX2
SCHEMBL7162247 0.91 EPHX2 (0.40) EPHX2CES2CES1
SCHEMBL7159620 0.89 EPHX2 (0.35) EPHX2
SCHEMBL6549622 0.87 CES2 (0.36) EPHX2CES2CES1HAO1MAPT
SCHEMBL6733993 0.87 KMT2A (0.41) CES2CES1HAO1MAPTKMT2A

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-6548220-B2 Containing acid generator SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-15 US disclosed