SCHEMBL6735177

SCHEMBL6735177

CCCCCC(=O)C[S+]1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 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
L3MBTL1 Q9Y468 2/20 0.41
HAO1 Q9UJM8 1/20 0.41
GPR84 Q9NQS5 6/20 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
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TLR2 O60603 2/20 0.40
MEN1 O00255 2/20 0.40
FABP4 P15090 2/20 0.40
PTPN1 P18031 2/20 0.40
SLC22A6 Q4U2R8 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
SCHEMBL6728033 0.98 KMT2A (0.44) KMT2AMAPTCES2CES1AKR1B1
SCHEMBL6730772 0.98 KMT2A (0.48) KMT2AMAPTCES2CES1HAO1
SCHEMBL6728501 0.96 KMT2A (0.47) KMT2AMAPTCES2CES1L3MBTL1
SCHEMBL6723667 0.94 CES1 (0.41) KMT2AMAPTCES2CES1AKR1B1
SCHEMBL6728650 0.92 CES1 (0.39) KMT2AMAPTCES2CES1AKR1B1
SCHEMBL6549622 0.86 CES2 (0.36) KMT2AMAPTCES2CES1AKR1B1
SCHEMBL6728105 0.85 CES2 (0.36) CES2CES1TSHRALDH1A1
SCHEMBL6550637 0.84 CES2 (0.35) KMT2AMAPTCES2CES1AKR1B1
SCHEMBL6551036 0.84 HAO1 (0.38) KMT2AMAPTCES2CES1HAO1
Trifluoromethanesulfonic Acid SCHEMBL6550326 0.83 FAAH (0.37) KMT2AMAPTCES2CES1HAO1

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