SCHEMBL7165271

SCHEMBL7165271

CCC(=O)C[S+]1CCOCC1.CCCCCCCCS(=O)(=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
THRB P10828 5/20 0.32
FAAH O00519 5/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
CES2 O00748 2/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL7159409 0.94 EPHX2 (0.32) EPHX2
SCHEMBL7163894 0.91 EPHX2 (0.38) EPHX2THRBKMT2ACES2CES1
SCHEMBL7155891 0.91 EPHX2 (0.38) EPHX2THRBFAAHKMT2ACES2
SCHEMBL7159603 0.91 EPHX2 (0.38) EPHX2THRBFAAHCES2CES1
SCHEMBL7161126 0.91 EPHX2 (0.38) EPHX2THRBKMT2ACES2CES1
SCHEMBL7155902 0.88 HAO1 (0.36) EPHX2THRBKMT2ACES2CES1
SCHEMBL7157575 0.88 EPHX2 (0.38) EPHX2THRBFAAHCES2CES1
SCHEMBL7161521 0.88 EPHX2 (0.39) EPHX2THRBFAAHCES2CES1
SCHEMBL7164340 0.86 CES2 (0.33) EPHX2KMT2ACES2CES1
SCHEMBL7163299 0.85 CES2 (0.32) EPHX2CES2CES1

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