SCHEMBL27596154

SCHEMBL27596154

CC(C)(CCC(=O)O)CC[S+]([O-])CC[S+]([O-])CCC(C)(C)CCC(=O)Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP19A1 P11511 1/20 0.34
ELANE P08246 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
BCL9 O00512 1/20 0.33
CTNNB1 P35222 1/20 0.33
ESR1 P03372 1/20 0.33

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
SCHEMBL6690011 0.96 KMT2A (0.39) KMT2APRSS1PRSS2PRSS3EGFR
SCHEMBL6706653 0.84 ELANE (0.37) KMT2APRSS1PRSS2PRSS3EGFR
SCHEMBL27596177 0.83 CYP2C19 (0.36) KMT2AEGFRERBB2ALDH1A1MAPT
SCHEMBL6697864 0.80 NAALAD2 (0.37) KMT2AALDH1A1LMNAHSD17B10ESR1
SCHEMBL6694592 0.78 ALDH1A1 (0.45) KMT2AALDH1A1MAPTHTTLMNA
SCHEMBL3287014 0.78 KMT2A (0.43) KMT2APRSS1PRSS2PRSS3EGFR
SCHEMBL28358799 0.76 KMT2A (0.44) KMT2APRSS1PRSS2PRSS3EGFR
SCHEMBL6509256 0.75 ELANE (0.47) PRSS1MAPTATML3MBTL1ELANE
SCHEMBL13053709 0.74 L3MBTL1 (0.41) KMT2APRSS1PRSS2PRSS3EGFR
SCHEMBL6346152 0.74 KMT2A (0.40) KMT2APRSS1PRSS2PRSS3EGFR

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
CN-1479721-A Sulfoxide and bis-sulfoxide compounds and compositions for cholesterol therapy and related applications ͨ��ҽ�ƹ�˾ 2004-03-03 CN disclosed