SCHEMBL5801642

SCHEMBL5801642

CCCCC=CN(C)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.42
F3 P13726 2/20 0.42
TERT O14746 3/20 0.38
PTPN1 P18031 3/20 0.38
PPARG P37231 3/20 0.38
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 0.38
CYP1A2 P05177 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C19 P33261 2/20 0.38
BLM P54132 2/20 0.38
HSD17B10 Q99714 2/20 0.38
FABP4 P15090 2/20 0.38
FAAH O00519 2/20 0.38
KMT2A Q03164 2/20 0.38
TOP1 P11387 2/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL9118984 0.92 TERT (0.48) F7F3TERTPTPN1PPARG
SCHEMBL27617488 0.79 F7 (0.39) F7F3TERTPTPN1PPARG
SCHEMBL13625589 0.78
SCHEMBL5932247 0.72 F7 (0.44) F7F3TERTPTPN1PPARG
SCHEMBL5932241 0.72 F7 (0.44) F7F3TERTPTPN1PPARG
SCHEMBL5932254 0.72 F7 (0.48) F7F3TERTPTPN1PPARG
Acetic Acid SCHEMBL27587008 0.72 F7 (0.64) F7F3TERTPTPN1PPARG
Acetic Acid SCHEMBL30514132 0.72 F7 (0.64) F7F3TERTPTPN1PPARG
SCHEMBL5425413 0.72 TSHR (0.39) F7F3PPARAFAAH
SCHEMBL5425416 0.72 TSHR (0.39) F7F3PPARAFAAH

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
WO-2006056166-A2 METHOD FOR THE ADDITION OF AMIDES UREAS LACTAMS AND CARBAMATES TO ALKYNES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2006-06-01 WO disclosed