SCHEMBL6169959

SCHEMBL6169959

C=CCc1cc(NC(=O)NCCCCC)c(C(=O)OC)o1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
EPHX2 P34913 3/20 0.44
HTT P42858 2/20 0.40
EPHX1 P07099 9/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.39
HDAC3 O15379 4/20 0.38
HDAC4 P56524 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC7 Q8WUI4 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC10 Q969S8 4/20 0.38
HDAC11 Q96DB2 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
HDAC6 Q9UBN7 4/20 0.38
HDAC9 Q9UKV0 4/20 0.38
HDAC5 Q9UQL6 4/20 0.38

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
SCHEMBL6168149 0.79 MAPT (0.45) MAPTEPHX2HTTEPHX1ALDH1A1
SCHEMBL6168671 0.76 ALDH1A1 (0.45) MAPTEPHX2HTTEPHX1ALDH1A1
SCHEMBL6170836 0.76 MAPT (0.44) MAPTEPHX2HTTEPHX1ALDH1A1
SCHEMBL6172128 0.73 EPHX2 (0.41) EPHX2HTTEPHX1ALDH1A1POLB
SCHEMBL6169782 0.71 EPHX2 (0.40) MAPTEPHX2HTTEPHX1ALDH1A1
SCHEMBL6168156 0.70 EPHX2 (0.41) EPHX2HTTEPHX1ALDH1A1POLB
SCHEMBL6168479 0.70 EPHX2 (0.40) EPHX2HTTEPHX1ALDH1A1POLB
SCHEMBL6169054 0.68 MAPK14 (0.61)
SCHEMBL6168198 0.67 EPHX2 (0.40) MAPTEPHX2HTTEPHX1ALDH1A1
SCHEMBL7844980 0.67 KDM4E (0.50) MAPTEPHX2HTTEPHX1ALDH1A1

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