SCHEMBL6168671

SCHEMBL6168671

C=CCc1cc(NC(=O)NCCCCC)c(C(=O)OC)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
EPHX2 P34913 3/20 0.43
EPHX1 P07099 10/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6168198 0.87 EPHX2 (0.40) ALDH1A1MAPTEPHX2EPHX1HTT
SCHEMBL6169959 0.76 MAPT (0.46) ALDH1A1MAPTEPHX2EPHX1HTT
SCHEMBL7844980 0.76 KDM4E (0.50) ALDH1A1KDM4EMAPTEPHX2EPHX1
SCHEMBL6168149 0.76 MAPT (0.45) ALDH1A1MAPTEPHX2EPHX1HTT
SCHEMBL6170836 0.75 MAPT (0.44) ALDH1A1KDM4EMAPTEPHX2EPHX1
SCHEMBL6181801 0.70 GAA (0.37) ALDH1A1KDM4EMAPTPOLBL3MBTL1
SCHEMBL6168156 0.67 EPHX2 (0.41) ALDH1A1EPHX2EPHX1HTTPOLB
SCHEMBL6172128 0.67 EPHX2 (0.41) ALDH1A1EPHX2EPHX1HTTPOLB
SCHEMBL6168479 0.67 EPHX2 (0.40) ALDH1A1EPHX2EPHX1HTTPOLB
SCHEMBL29098671 0.66 GAA (0.70) ALDH1A1KDM4EEPHX2EPHX1HTT

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