SCHEMBL4728259

SCHEMBL4728259

CCOC(=O)C(=O)C1c2cc(Cl)ccc2C(=O)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.40
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TP53 P04637 1/20 0.39
ALPG P10696 1/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 3/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
MAOB P27338 1/20 0.36
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.35
ADCY8 P40145 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4730197 0.91 MAPK1 (0.40) CYP11B2MAPTALDH1A1L3MBTL1TP53
SCHEMBL4727318 0.88 ALDH1A1 (0.43) CYP11B2MAPTALDH1A1L3MBTL1HTT
SCHEMBL4726892 0.86 TDP2 (0.46) CYP11B2MAPTALDH1A1L3MBTL1HTT
SCHEMBL4726625 0.86 CYP11B2 (0.40) CYP11B2MAPTALDH1A1L3MBTL1LMNA
SCHEMBL4784489 0.85 CYP1A1 (0.41) CYP11B2MAPTALDH1A1L3MBTL1TSHR
SCHEMBL4729580 0.84 CYP11B2 (0.51) CYP11B2MAPTALDH1A1L3MBTL1HTT
SCHEMBL4728256 0.81 ALPG (0.41) MAPTALDH1A1L3MBTL1TP53ALPG
SCHEMBL4726095 0.80 PPARG (0.46) ALDH1A1L3MBTL1LMNAMAOBKMT2A
SCHEMBL4730195 0.79 ALPG (0.41) MAPTALDH1A1L3MBTL1TP53ALPG
SCHEMBL4726123 0.79 TDP2 (0.41) CYP11B2MAPTALDH1A1L3MBTL1HTT

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