SCHEMBL16258804

SCHEMBL16258804

CCCCC/C=C\CCC(=O)N=N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.53
PPARD Q03181 4/20 0.53
PPARA Q07869 4/20 0.53
TERT O14746 3/20 0.53
PTPN1 P18031 3/20 0.53
MAPT P10636 3/20 0.53
BLM P54132 3/20 0.53
HSD17B10 Q99714 3/20 0.53
FABP4 P15090 3/20 0.53
KMT2A Q03164 3/20 0.53
TOP1 P11387 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
FAAH O00519 2/20 0.53
USP2 O75604 2/20 0.53
LMNA P02545 2/20 0.53
ALOX15 P16050 2/20 0.53
RECQL P46063 2/20 0.53
CYP19A1 P11511 2/20 0.53
NR4A2 P43354 2/20 0.53

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
SCHEMBL14770880 0.86 ALDH1A1 (0.65) PPARGPPARDPPARAMAPTBLM
SCHEMBL23221964 0.77 CES2 (0.54) PPARGPPARDPPARAPTPN1HSD17B10
SCHEMBL23221963 0.77 CES2 (0.54) PPARGPPARDPPARAPTPN1HSD17B10
SCHEMBL1784609 0.75 PPARG (0.61) PPARGPPARDPPARATERTPTPN1
SCHEMBL247797 0.75 PPARG (0.80) PPARGPPARDPPARATERTPTPN1
SCHEMBL18720987 0.75 PPARG (0.80) PPARGPPARDPPARATERTPTPN1
SCHEMBL247796 0.75 PPARG (0.80) PPARGPPARDPPARATERTPTPN1
SCHEMBL1784610 0.75 PPARG (0.61) PPARGPPARDPPARATERTPTPN1
SCHEMBL11502529 0.75 PPARG (0.61) PPARGPPARDPPARATERTPTPN1
SCHEMBL371612 0.75 PPARG (0.80) PPARGPPARDPPARATERTPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805726-A1 Macrocyclic hepatitis C serine protease inhibitors Enanta Pharmaceuticals, Inc. (US) 2014-11-26 EP disclosed