SCHEMBL4410018

SCHEMBL4410018

COc1ccc(C(C)Cc2ccccc2)cc1NC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.70
SCARB1 Q8WTV0 8/20 0.59
MAPK13 O15264 1/20 0.55
MAPK12 P53778 1/20 0.55
MAPK11 Q15759 1/20 0.55

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
SCHEMBL4410021 0.92 MAPK14 (0.70) MAPK14SCARB1MAPK13MAPK12MAPK11
SCHEMBL4958441 0.91 MAPK14 (0.78) MAPK14SCARB1MAPK13MAPK12MAPK11
SCHEMBL4410017 0.86 MAPK14 (0.69) MAPK14SCARB1MAPK13MAPK12MAPK11
SCHEMBL12669910 0.86 MAPK14 (0.79) MAPK14SCARB1MAPK13MAPK12MAPK11
SCHEMBL1599085 0.83 MAPK14 (0.65) MAPK14SCARB1
SCHEMBL1600560 0.83 MAPK14 (1.00) MAPK14SCARB1
SCHEMBL1602454 0.82 MAPK14 (0.86) MAPK14SCARB1MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL1899167 0.82 MAPK14 (0.98) MAPK14SCARB1
SCHEMBL1601028 0.82 MAPK14 (0.86) MAPK14SCARB1MAPK13MAPK12MAPK11
SCHEMBL1902717 0.80 MAPK14 (0.72) MAPK14SCARB1MAPK13MAPK12MAPK11

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-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007058990-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-24 WO disclosed