SCHEMBL6728312

SCHEMBL6728312

CCCCC(=O)C[S+](CC)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.46
CES2 O00748 5/20 0.46
ALDH1A1 P00352 4/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
CA1 P00915 1/20 0.41
HAO1 Q9UJM8 1/20 0.38
AKR1B1 P15121 1/20 0.37
PPARG P37231 4/20 0.36
PPARD Q03181 4/20 0.36
PPARA Q07869 4/20 0.36
TSHR P16473 3/20 0.36
GPR84 Q9NQS5 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
TLR2 O60603 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL6728290 0.93 KMT2A (0.50) CES1CES2ALDH1A1KMT2AMAPT
SCHEMBL6736288 0.91 KMT2A (0.54) CES1CES2ALDH1A1KMT2AMAPT
SCHEMBL6726495 0.85 CES2 (0.41) CES1CES2ALDH1A1KMT2AMAPT
SCHEMBL6728106 0.84 CES1 (0.44) CES1CES2ALDH1A1TP53KMT2A
SCHEMBL6550658 0.84 CES1 (0.38) CES1CES2ALDH1A1TP53KMT2A
Trifluoromethanesulfonic Acid SCHEMBL6548887 0.82 CES1 (0.36) CES1CES2KMT2ACA1MEN1
SCHEMBL6549356 0.78 CES2 (0.39) CES1CES2ALDH1A1KMT2AMAPT
SCHEMBL6723137 0.78 CES1 (0.48) CES1CES2ALDH1A1TP53KMT2A
SCHEMBL6725752 0.77 KMT2A (0.48) CES1CES2ALDH1A1KMT2AMAPT
SCHEMBL6549340 0.77 CES2 (0.41) CES1CES2ALDH1A1KMT2AMAPT

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