SCHEMBL8924299

SCHEMBL8924299

CCOC(=O)C(C)SC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAOB P27338 1/20 0.35
HTR2A P28223 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CCR5 P51681 2/20 0.33
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33
GAA P10253 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
SCHEMBL8694953 1.00 MAPT (0.37) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL8696193 0.93 GAA (0.38) MAPTALDH1A1HPGDHTR2ASMN1; SMN2
SCHEMBL9393713 0.93 GAA (0.38) MAPTALDH1A1HPGDHTR2ASMN1; SMN2
SCHEMBL8923969 0.92 ALDH1A1 (0.37) MAPTALDH1A1HPGDHTR2AL3MBTL1
SCHEMBL8693099 0.92 ALDH1A1 (0.37) MAPTALDH1A1HPGDHTR2AL3MBTL1
SCHEMBL9519436 0.90 ALDH1A1 (0.37) MAPTALDH1A1HPGDHTR2AL3MBTL1
SCHEMBL8693559 0.88 ALDH1A1 (0.35) MAPTALDH1A1HPGDMAOBHTR2A
SCHEMBL9202417 0.88 ALDH1A1 (0.35) MAPTALDH1A1HPGDMAOBHTR2A
SCHEMBL8923764 0.87 ALDH1A1 (0.35) MAPTALDH1A1HPGDHTR2ACCR5
SCHEMBL8694624 0.87 ALDH1A1 (0.35) MAPTALDH1A1HPGDHTR2ACCR5

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-5641770-A THIENAMYCINS ANTIBIOTICS CHONG KUN DANG CORP. (KR) 1997-06-24 US disclosed