SCHEMBL9209376

SCHEMBL9209376

CCOC(=O)C(Cc1c(C)cc(C(C)(C)C)cc1C)(Oc1ccccc1OCC)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
GLA P06280 1/20 0.40
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HCRTR1 O43613 2/20 0.36
MMP8 P22894 1/20 0.36
FBP1 P09467 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
EZH2 Q15910 1/20 0.35
POLB P06746 1/20 0.35
CASP6 P55212 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 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
SCHEMBL9206341 0.77 KMT2A (0.48) L3MBTL1GLATDP1MAPTNPSR1
SCHEMBL7861235 0.73 ALDH1A1 (0.48) L3MBTL1TDP1MAPTMMP8MRGPRX4
SCHEMBL7860078 0.72 ALDH1A1 (0.47) L3MBTL1GLAMAPTMMP8KMT2A
SCHEMBL16672964 0.68 GLA (0.49) L3MBTL1GLATDP1MAPTHCRTR1
SCHEMBL16672862 0.67 L3MBTL1 (0.49) L3MBTL1GLATDP1MAPTNPSR1
SCHEMBL9199837 0.67 ALDH1A1 (0.47) L3MBTL1TDP1MAPTMMP8POLB
SCHEMBL21939443 0.66 L3MBTL1 (0.59) L3MBTL1GLATDP1MAPTNPSR1
SCHEMBL7183691 0.66 RXFP1 (0.42) L3MBTL1GLARXFP1MAPTHCRTR1
SCHEMBL6584031 0.65 LMNA (0.44) L3MBTL1MAPTNPSR1MMP8FBP1
SCHEMBL4111678 0.65 FBP1 (0.58) TDP1MMP8FBP1CYP1A2

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-0423802-B1 Phenoxy-heterocyclic compounds MERRELL DOW PHARMA (US) 1995-08-09 EP disclosed
US-5134154-A Phenoxy-heterocyclic compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-28 US disclosed
EP-0423802-A1 Phenoxy-heterocyclic compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1991-04-24 EP disclosed