SCHEMBL6728020

SCHEMBL6728020

CCCCS(CCCC)(CC(=O)CCC)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
LMNA P02545 3/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 2/20 0.39
ALB P02768 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 5/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
PLA2G2C Q5R387 1/20 0.36
RAB9A P51151 1/20 0.36
MCHR1 Q99705 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
G6PD P11413 1/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.34
P4HB P07237 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL6727649 0.95 ALDH1A1 (0.39) ALDH1A1LMNACYP2C9TSHRALB
SCHEMBL6722944 0.94 ALDH1A1 (0.40) ALDH1A1LMNACYP2C9TSHRALB
SCHEMBL6725988 0.92 ALDH1A1 (0.42) ALDH1A1LMNACYP2C9TSHRALB
SCHEMBL6727540 0.91 ALDH1A1 (0.40) ALDH1A1LMNACYP2C9TSHRALB
SCHEMBL6735007 0.89 ALDH1A1 (0.41) ALDH1A1LMNACYP2C9TSHRALB
SCHEMBL6728928 0.86 ALDH1A1 (0.41) ALDH1A1LMNACYP2C9TSHRALB
SCHEMBL6723266 0.86 ALDH1A1 (0.41) ALDH1A1LMNACYP2C9TSHRALB
SCHEMBL6727480 0.85 ALDH1A1 (0.41) ALDH1A1LMNACYP2C9TSHRALB
SCHEMBL6728632 0.84 ALDH1A1 (0.43) ALDH1A1LMNACYP2C9TSHRALB
SCHEMBL6723421 0.83 ALDH1A1 (0.39) ALDH1A1LMNACYP2C9TSHRALB

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