SCHEMBL27596177

SCHEMBL27596177

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
FFAR1 O14842 1/20 0.36
CPT2 P23786 1/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ELANE P08246 2/20 0.35
ATM Q13315 1/20 0.35
CYP19A1 P11511 1/20 0.35
HTT P42858 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARA Q07869 1/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32

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
SCHEMBL6706653 0.96 ELANE (0.37) CYP2C19HIF1ATDP1L3MBTL1ELANE
SCHEMBL27596163 0.90 TDP1 (0.41) CYP2C19HIF1ATDP1FFAR1CPT2
SCHEMBL6694821 0.85 ELANE (0.35) CYP2C19HIF1ATDP1FFAR1CPT2
SCHEMBL6510734 0.84 ELANE (0.38) L3MBTL1ELANEATMCYP19A1HTT
SCHEMBL6690011 0.84 KMT2A (0.39) TDP1L3MBTL1ELANEATMCYP19A1
SCHEMBL27596154 0.83 KMT2A (0.36) FFAR1L3MBTL1ELANEATMCYP19A1
SCHEMBL9427528 0.83 CYP2C19 (0.47) CYP2C19HIF1ATDP1FFAR1CPT2
SCHEMBL6503923 0.80 FFAR1 (0.54) CYP2C19HIF1ATDP1FFAR1CPT2
SCHEMBL6699922 0.79 ELANE (0.38) L3MBTL1ELANEATMCYP19A1PPARA
SCHEMBL6697288 0.77 ALDH1A1 (0.46) TDP1L3MBTL1KMT2AALDH1A1

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