SCHEMBL6955669

SCHEMBL6955669

CCCCN(CCCC(=O)OCC)CCCC(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
DNM1 Q05193 1/20 0.49
DGKA P23743 1/20 0.48
DRD2 P14416 1/20 0.46
KDM5A P29375 4/20 0.46
ALDH1A1 P00352 2/20 0.45
TRPA1 O75762 1/20 0.45
ALOX5 P09917 1/20 0.44
PAM P19021 2/20 0.44
PHF8 Q9UPP1 2/20 0.44
KDM4C Q9H3R0 2/20 0.44
NR1I2 O75469 1/20 0.43
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
PTGS2 P35354 1/20 0.43
PDE4D Q08499 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43

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
SCHEMBL19150283 0.94 DGKA (0.57) CYP1A2DNM1DGKAKDM5AALDH1A1
SCHEMBL8399737 0.94 KDM5A (0.53) CYP1A2DNM1DGKAKDM5AALDH1A1
SCHEMBL29740738 0.94 CYP1A2 (0.59) CYP1A2DNM1DGKADRD2ALDH1A1
SCHEMBL10989917 0.92 DGKA (0.55) CYP1A2DNM1DGKADRD2KDM5A
SCHEMBL11802987 0.92 DGKA (0.55) CYP1A2DNM1DGKAKDM5AALDH1A1
SCHEMBL19478720 0.92 CYP1A2 (0.48) CYP1A2DNM1DGKADRD2KDM5A
SCHEMBL8466798 0.92 CYP1A2 (0.48) CYP1A2DNM1DGKADRD2KDM5A
SCHEMBL6844300 0.89 CYP1A2 (0.46) CYP1A2DNM1DGKADRD2KDM5A
SCHEMBL18831846 0.89 DGKA (0.60) CYP1A2DNM1DGKAKDM5AALDH1A1
SCHEMBL22278960 0.88 CYP1A2 (0.53) CYP1A2DNM1DGKADRD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0829474-B1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN SEIFUN GROUP INC (JP) 2003-04-09 EP disclosed
US-6096746-A Indazole compound containing a monocyclic amine structure NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-08-01 US disclosed
US-5945434-A TREATMENT OF GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1999-08-31 US disclosed
EP-0829474-A1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-03-18 EP disclosed