SCHEMBL6730722

SCHEMBL6730722

CCCC(=O)C[S+](C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HDAC3 O15379 4/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
FFAR3 O14843 3/20 0.35
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
CTSD P07339 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
SCHEMBL7536071 0.92 CES2 (0.31) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL6725787 0.85 KMT2A (0.45) CES2CES1TSHRALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL6550962 0.84 CES2 (0.30) CES2CES1
SCHEMBL6723095 0.84 KMT2A (0.48) CES2CES1TSHRALDH1A1
SCHEMBL6550895 0.82 EPHX2 (0.33) CES2CES1
SCHEMBL6731112 0.81 TDP1 (0.43) FFAR3ALDH1A1
SCHEMBL6550632 0.77 CA1 (0.33)
SCHEMBL6551415 0.77 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL6550690 0.76 CA1 (0.34)
SCHEMBL6723681 0.75

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-20040224251-A1 Positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-11 US disclosed