SCHEMBL6728928

SCHEMBL6728928

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
CYP2C9 P11712 2/20 0.41
LMNA P02545 1/20 0.41
ALB P02768 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PLA2G2C Q5R387 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 3/20 0.37
MCHR1 Q99705 1/20 0.37
G6PD P11413 2/20 0.36
GAA P10253 1/20 0.36
ENPP1 P22413 1/20 0.36
RECQL P46063 1/20 0.35
STAT3 P40763 1/20 0.35
RAB9A P51151 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL6727540 0.88 ALDH1A1 (0.40) ALDH1A1CYP2C9LMNAALBTSHR
SCHEMBL6726184 0.87 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2POLBKMT2A
SCHEMBL6727649 0.86 ALDH1A1 (0.39) ALDH1A1CYP2C9LMNAALBTSHR
SCHEMBL6728020 0.86 ALDH1A1 (0.39) ALDH1A1CYP2C9LMNAALBTSHR
SCHEMBL6736347 0.85 ALDH1A1 (0.39) ALDH1A1CYP2C9LMNAALBTSHR
SCHEMBL6723421 0.85 ALDH1A1 (0.39) ALDH1A1CYP2C9LMNAALBTSHR
SCHEMBL6722944 0.85 ALDH1A1 (0.40) ALDH1A1CYP2C9LMNAALBTSHR
SCHEMBL6725988 0.84 ALDH1A1 (0.42) ALDH1A1CYP2C9LMNAALBTSHR
SCHEMBL6728433 0.81 ENPP3 (0.43) ALDH1A1CYP2C9LMNAALBTSHR
SCHEMBL6735091 0.80 ENPP3 (0.44) ALDH1A1LMNATSHRCYP3A4POLB

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