SCHEMBL8317430

SCHEMBL8317430

CCOC(=O)C1CCc2ccc(NC(=O)OC(C)(C)C)c(C)c2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
TDP1 Q9NUW8 3/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 4/20 0.36
NFKB2 Q00653 4/20 0.36
RELA Q04206 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
KCNQ4 P56696 2/20 0.34
KCNQ5 Q9NR82 2/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL8314473 0.77 CYP4F2 (0.56) CYP4F2CYP4A11TDP1CTDSP1NFKB1
SCHEMBL8313320 0.77 POLB (0.34) ALDH1A1TSHRNFKB1NFKB2RELA
SCHEMBL6083239 0.77 POLB (0.34) ALDH1A1TSHRNFKB1NFKB2RELA
SCHEMBL6081924 0.77 POLB (0.34) ALDH1A1TSHRNFKB1NFKB2RELA
SCHEMBL6081926 0.76 ELANE (0.32)
SCHEMBL8318115 0.76 ELANE (0.32)
SCHEMBL6083248 0.76 ELANE (0.32)
SCHEMBL8313324 0.74 ELANE (0.33)
SCHEMBL27396218 0.73 ELANE (0.37) HPGDCYP1A2CYP2C19
SCHEMBL3102874 0.72 CYSLTR2 (0.42) TDP1CTDSP1ALDH1A1KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771801-B1 Chromane derivatives AMERICAN HOME PROD (US) 1999-03-03 EP disclosed
US-5750556-A REDUCING DOPAMINE SYNTHESIS AND RELEASE, SCHIZOPHRENIA AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-12 US disclosed
EP-0771801-A1 Chromane derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1997-05-07 EP disclosed