SCHEMBL6725787

SCHEMBL6725787

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
CES2 O00748 4/20 0.43
CES1 P23141 4/20 0.43
AKR1B1 P15121 1/20 0.41
HAO1 Q9UJM8 1/20 0.41
FAAH O00519 1/20 0.41
GPR84 Q9NQS5 7/20 0.40
PPARG P37231 6/20 0.40
PPARD Q03181 6/20 0.40
PPARA Q07869 6/20 0.40
HDAC11 Q96DB2 5/20 0.40
TSHR P16473 4/20 0.40
ALDH1A1 P00352 2/20 0.40
TLR2 O60603 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
FABP4 P15090 2/20 0.40
PTPN1 P18031 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40

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
SCHEMBL6723095 0.98 KMT2A (0.48) KMT2AMAPTCES2CES1HAO1
SCHEMBL6726179 0.94 CES1 (0.41) KMT2AMAPTCES2CES1AKR1B1
SCHEMBL6548750 0.86 CES1 (0.36) KMT2AMAPTCES2CES1AKR1B1
Trifluoromethanesulfonic Acid SCHEMBL6550483 0.86 FAAH (0.39) KMT2ACES2CES1HAO1FAAH
SCHEMBL6730722 0.85 CES2 (0.36) CES2CES1TSHRALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL6550918 0.84 CES1 (0.40) KMT2AMAPTCES2CES1HAO1
SCHEMBL6550576 0.84 HAO1 (0.38) KMT2AMAPTCES2CES1HAO1
SCHEMBL6549512 0.80 CES1 (0.34) KMT2ACES2CES1HAO1MEN1
Trifluoromethanesulfonic Acid SCHEMBL6549345 0.80 CES1 (0.34) KMT2ACES2CES1FAAHMEN1
SCHEMBL6733772 0.79 KMT2A (0.52) KMT2AMAPTCES2CES1AKR1B1

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