SCHEMBL5201213

SCHEMBL5201213

CCCOC(=O)CCc1ccccc1N

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.53
CYP4A11 Q02928 2/20 0.53
TDP1 Q9NUW8 1/20 0.49
CDYL Q9Y232 1/20 0.48
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.44
TOP2A P11388 1/20 0.43
POLB P06746 1/20 0.42
P2RY10 O00398 3/20 0.42
GPR34 Q9UPC5 1/20 0.42

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
SCHEMBL11075331 0.87 CYP4F2 (0.69) CYP4F2CYP4A11TDP1CDYLKDM4E
Hydrochloric Acid SCHEMBL11263678 0.86 CYP4F2 (0.67) CYP4F2CYP4A11TDP1CDYLKDM4E
SCHEMBL14360800 0.83 CYP4F2 (0.58) CYP4F2CYP4A11TDP1CDYLKDM4E
SCHEMBL27528620 0.82 CYP4F2 (0.49) CYP4F2CYP4A11TDP1CDYLKDM4E
SCHEMBL28546061 0.82 TDP1 (0.50) CYP4F2CYP4A11TDP1KDM4EALDH1A1
SCHEMBL3402986 0.80 TSHR (0.49) CYP4F2CYP4A11TDP1KDM4EALDH1A1
SCHEMBL24405103 0.78 ALDH1A1 (0.53) CYP4F2CYP4A11TDP1ALDH1A1HSD17B10
SCHEMBL4270902 0.78 CYP4F2 (0.64) CYP4F2CYP4A11ALDH1A1HSD17B10TOP2A
SCHEMBL8694789 0.78 CYP4F2 (0.44) CYP4F2CYP4A11TDP1CDYLKDM4E
SCHEMBL27567553 0.77 CYP4F2 (0.71) CYP4F2CYP4A11ALDH1A1HSD17B10TOP2A

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-1817424-A1 ENZYME REACTIONS IN MINIEMULSIONS Degussa GmbH (DE) 2007-08-15 EP claimed
WO-2006058595-A1 ENZYME REACTIONS IN MINIEMULSIONS DEGUSSA GMBH (DE) 2006-06-08 WO claimed