SCHEMBL6170836

SCHEMBL6170836

C=CCc1cc(NC(=O)NCCCCC)c(C(=O)OC)n1C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
EPHX2 P34913 3/20 0.42
EPHX1 P07099 10/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
MAPK14 Q16539 3/20 0.36
RAF1 P04049 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6169959 0.76 MAPT (0.46) MAPTEPHX2EPHX1HTTALDH1A1
SCHEMBL6168149 0.75 MAPT (0.45) MAPTEPHX2EPHX1HTTALDH1A1
SCHEMBL6168671 0.75 ALDH1A1 (0.45) MAPTEPHX2EPHX1HTTALDH1A1
SCHEMBL6168156 0.67 EPHX2 (0.41) EPHX2EPHX1HTTALDH1A1POLB
SCHEMBL6172128 0.67 EPHX2 (0.41) EPHX2EPHX1HTTALDH1A1POLB
SCHEMBL6168479 0.66 EPHX2 (0.40) EPHX2EPHX1HTTALDH1A1POLB
SCHEMBL6168198 0.66 EPHX2 (0.40) MAPTEPHX2EPHX1HTTALDH1A1
SCHEMBL7844980 0.66 KDM4E (0.50) MAPTEPHX2EPHX1HTTALDH1A1
SCHEMBL29098671 0.65 GAA (0.70) EPHX2EPHX1HTTALDH1A1POLB
SCHEMBL10362736 0.65 GAA (0.70) EPHX2EPHX1HTTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1163236-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2005-11-09 EP disclosed
US-6476023-B1 Aromatic heterocyclic compounds as anti-inflammatory agents BOEHRINGEN INGELHEIM PHARMACEUTICALS, INC. 2002-11-05 US disclosed
EP-1163236-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-19 EP disclosed
US-6297381-B1 INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES SUCH AS INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR, UREAS OR THIOUREAS SUBSTITUTED BY A PYRROLE OR THIOPHENE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-10-02 US disclosed
WO-2000055152-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed