SCHEMBL7397143

SCHEMBL7397143

CCOC(=O)CCCn1c(-c2ccc3c(c2)OCO3)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.60
SIRT1 Q96EB6 2/20 0.60
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
TP53 P04637 2/20 0.47
SIRT3 Q9NTG7 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.46
USP2 O75604 1/20 0.46
ALPG P10696 1/20 0.46
CTNNB1 P35222 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NTRK1 P04629 1/20 0.45

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
SCHEMBL7385375 0.87 SIRT2 (0.52) SIRT2SIRT1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7397442 0.84 TP53 (0.65) SIRT2SIRT1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7391995 0.83 TP53 (0.64) SIRT2SIRT1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7390863 0.83 TP53 (0.64) SIRT2SIRT1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7389782 0.82 KDM4E (0.61) SIRT2SIRT1ALDH1A1SMN1; SMN2LMNA
SCHEMBL22965154 0.82 KDM4E (0.62) ALDH1A1KDM4EHPGDHTTTP53
SCHEMBL7395324 0.82 TSHR (0.62) SIRT2SIRT1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7394024 0.82 KDM4E (0.65) SIRT2SIRT1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7394420 0.81 SIRT2 (0.55) SIRT2SIRT1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7387135 0.80 SIRT2 (0.52) SIRT2SIRT1ALDH1A1LMNAL3MBTL1

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-6130333-A VISION DEFECTS; CARDIOVASCULAR DISORDERS MONSANTO COMPANY (US) 2000-10-10 US disclosed