SCHEMBL4965475

SCHEMBL4965475

CCCCCCCCCCCCCCCCC=CCCC=CCCC(OC)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.53
TERT O14746 3/20 0.50
PTPN1 P18031 3/20 0.50
PPARG P37231 3/20 0.50
PPARD Q03181 3/20 0.50
PPARA Q07869 3/20 0.50
MAPT P10636 2/20 0.50
BLM P54132 2/20 0.50
HSD17B10 Q99714 2/20 0.50
FABP4 P15090 2/20 0.50
DUSP3 P51452 2/20 0.50
PTPN7 P35236 2/20 0.50
GMNN O75496 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
APEX1 P27695 1/20 0.50

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
SCHEMBL3891507 1.00 TOP1 (0.53) TOP1TERTPTPN1PPARGPPARD
SCHEMBL3891502 1.00 TOP1 (0.53) TOP1TERTPTPN1PPARGPPARD
SCHEMBL4965470 1.00 TOP1 (0.53) TOP1TERTPTPN1PPARGPPARD
SCHEMBL3891511 1.00 TOP1 (0.53) TOP1TERTPTPN1PPARGPPARD
SCHEMBL3315264 0.98 TERT (0.51) TOP1TERTPTPN1PPARGPPARD
SCHEMBL5389880 0.98 TERT (0.51) TOP1TERTPTPN1PPARGPPARD
SCHEMBL3315260 0.98 TERT (0.51) TOP1TERTPTPN1PPARGPPARD
SCHEMBL18944747 0.92 PPARG (0.54) PPARGPPARDPPARAMAPTBLM
SCHEMBL3317336 0.92 TERT (0.51) TOP1TERTPTPN1PPARGPPARD
SCHEMBL5357807 0.92 TERT (0.51) TOP1TERTPTPN1PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934201-A1 DEUTERATED INHIBITORS OF GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES Auspex Pharmaceuticals Inc. (US) 2008-06-25 EP disclosed
WO-2007041630-A1 DEUTERATED INHIBITORS OF GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES AUSPEX PHARMACEUTICALS, INC. (US) 2007-04-12 WO disclosed