SCHEMBL4784487

SCHEMBL4784487

CCOC(=O)C(=O)C1C(=O)c2ccc(OC)cc2OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 3/20 0.39
MAPT P10636 4/20 0.38
CYP3A4 P08684 4/20 0.38
CYP19A1 P11511 1/20 0.38
NQO1 P15559 1/20 0.37
POR P16435 1/20 0.37
HPGD P15428 3/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
MAOB P27338 2/20 0.37

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
SCHEMBL4727314 0.87 LMNA (0.40) ALDH1A1KDM4ESMN1; SMN2MAPTCYP19A1
SCHEMBL4726624 0.85 ALDH1A1 (0.34) ALDH1A1KDM4ETDP1MAPTHPGD
SCHEMBL4728256 0.85 ALPG (0.41) ALDH1A1KDM4ETDP1SMN1; SMN2MAPT
SCHEMBL4726092 0.84 MAOB (0.52) ALDH1A1SMN1; SMN2PPARGHPGDMAOB
SCHEMBL4730667 0.83 CNR2 (0.37) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL2171555 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTCYP3A4MEN1
SCHEMBL4784489 0.82 CYP1A1 (0.41) ALDH1A1KDM4ETDP1PPARGMAPT
SCHEMBL4730195 0.78 ALPG (0.41) ALDH1A1KDM4ETDP1SMN1; SMN2MAPT
SCHEMBL4726120 0.78 TDP2 (0.39) ALDH1A1KDM4ESMN1; SMN2MAPTCYP3A4
SCHEMBL4727256 0.77 CYP19A1 (0.50) ALDH1A1SMN1; SMN2PPARGMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 WO claimed
WO-2008035356-A2 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-03-27 WO disclosed