SCHEMBL931218

SCHEMBL931218

NC(=O)CCC1CCCCCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
ALOX5 P09917 2/20 0.47
HSD11B1 P28845 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
METAP1 P53582 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL885302 1.00 HPGD (0.53) HPGDALOX5HSD11B1MEN1KMT2A
Hydrochloric Acid SCHEMBL5392447 0.98 HPGD (0.52) HPGDALOX5HSD11B1MEN1KMT2A
SCHEMBL930717 0.98 HPGD (0.50) HPGDALOX5HSD11B1MEN1KMT2A
SCHEMBL930589 0.93
SCHEMBL8392478 0.88 SIGMAR1 (0.50) HPGDALOX5MEN1KMT2AMETAP1
SCHEMBL9100 0.88 SIGMAR1 (0.50) HPGDALOX5MEN1KMT2AMETAP1
SCHEMBL26294 0.87
SCHEMBL931403 0.86 SIGMAR1 (0.54) HPGDALOX5KMT2ASIGMAR1EPHX1
SCHEMBL9203 0.86 SIGMAR1 (0.54) HPGDALOX5KMT2ASIGMAR1EPHX1
SCHEMBL2752775 0.86 SIGMAR1 (0.46) HPGDALOX5MEN1KMT2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011000945-A2 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-01-06 WO claimed
WO-2012163456-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2012-12-06 WO disclosed
WO-2011000945-A9 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-04-07 WO disclosed
WO-2011000945-A2 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-01-06 WO disclosed
EP-1727789-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS Pfizer Limited (GB) 2006-12-06 EP disclosed
WO-2005090287-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2005-09-29 WO disclosed