SCHEMBL7760774

SCHEMBL7760774

COC(=O)C(C)(OC(=O)Oc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.50
ELANE P08246 5/20 0.46
ALDH1A1 P00352 2/20 0.42
MAPT P10636 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ATM Q13315 1/20 0.40
KMT2A Q03164 1/20 0.40
SRC P12931 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL7759913 0.91 ELANE (0.45) KCNN4ELANEALDH1A1MAPTL3MBTL1
SCHEMBL7761165 0.82 ALDH1A1 (0.45) ALDH1A1MAPTKMT2ACYP2C19
SCHEMBL4811115 0.80 KCNN4 (0.56) KCNN4ELANEALDH1A1MAPTKMT2A
SCHEMBL1813751 0.78 ALDH1A1 (0.48) KCNN4ELANEALDH1A1MAPTL3MBTL1
SCHEMBL10837067 0.78 KCNN4 (0.62) KCNN4ELANEALDH1A1MAPTKMT2A
SCHEMBL16732159 0.78 ELANE (0.44) KCNN4ELANEALDH1A1MAPTL3MBTL1
SCHEMBL10841865 0.78 KCNN4 (0.53) KCNN4ELANEALDH1A1MAPTKMT2A
SCHEMBL7759387 0.77 NPC1 (0.47) ELANEALDH1A1MAPTL3MBTL1TDP1
SCHEMBL4358322 0.76 ELANE (0.52) ELANEALDH1A1MAPTL3MBTL1TDP1
SCHEMBL11771781 0.76 ELANE (0.67) ELANEALDH1A1MAPTL3MBTL1TDP1

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
EP-1092712-A1 Process for preparing fungicidal oxazolidinones and imidazolinones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-04-18 EP disclosed