SCHEMBL6022020

SCHEMBL6022020

CCC(CCO)(CCO)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3262974 0.86 CYP4F2 (0.55) CYP4F2CYP4A11MEN1ALDH1A1KMT2A
SCHEMBL28386822 0.83 LMNA (0.38) CYP4F2CYP4A11LMNAHSD17B10
SCHEMBL4658767 0.82 LMNA (0.40) CYP4F2CYP4A11MEN1ALDH1A1CYP1A2
SCHEMBL2036937 0.81 ALOX15 (0.36) CYP4F2CYP4A11MEN1ALDH1A1CYP1A2
SCHEMBL21815206 0.81 CYP4F2 (0.34) CYP4F2CYP4A11
SCHEMBL27313849 0.79
SCHEMBL16163571 0.79 CYP4F2 (0.33) CYP4F2CYP4A11LMNA
SCHEMBL7511555 0.79 CYP4F2 (0.33) CYP4F2CYP4A11LMNA
SCHEMBL11680514 0.79 CYP4F2 (0.31) CYP4F2CYP4A11
SCHEMBL6286232 0.78 FDPS (0.40) CYP4F2CYP4A11MEN1CYP1A2KMT2A

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-1668004-A1 BENZOXAZOLE ACETONITRILES Applied Research Systems ARS Holding N.V. (AN) 2006-06-14 EP claimed
WO-2005026159-A1 BENZOXAZOLE ACETONITRILES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-03-24 WO claimed