SCHEMBL3012735

SCHEMBL3012735

CC(O)C(=O)OC(C)c1nccn1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.43
CYP2D6 P10635 1/20 0.39
MAPT P10636 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.36
FGB P02675 1/20 0.36
TNNI3 P19429 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
BRCA1 P38398 1/20 0.36

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
SCHEMBL3002756 0.90 L3MBTL1 (0.44) L3MBTL1KDM4EKMT2ACYP2D6MAPT
SCHEMBL2998187 0.85 KMT2A (0.46) L3MBTL1KDM4EKMT2ACYP2D6MAPT
SCHEMBL3014365 0.83 KMT2A (0.45) L3MBTL1KDM4EKMT2ACYP2D6MAPT
SCHEMBL3012042 0.79 L3MBTL1 (0.43) L3MBTL1KDM4EKMT2ACYP2D6MAPT
SCHEMBL3012029 0.78 KMT2A (0.50) L3MBTL1KDM4EKMT2ACYP2D6MAPT
Lactic Acid SCHEMBL27753588 0.75 KDM4E (0.51) L3MBTL1KDM4EKMT2ACYP2D6MAPT
SCHEMBL372498 0.73 KDM4E (0.44) L3MBTL1KDM4EKMT2ACYP2D6MAPT
SCHEMBL3007645 0.73 LMNA (0.49) L3MBTL1KMT2AMAPTALDH1A1LMNA
SCHEMBL3002534 0.73 KMT2A (0.48) L3MBTL1KDM4EKMT2ACYP2D6MAPT
SCHEMBL23863190 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362095-B2 Defoaming of ionic liquids EVONIK GOLDSCHMIDT GMBH (DE) 2013-01-29 US disclosed
US-20100192814-A1 PROCESS FOR PRODUCING ANTISTATICALLY TREATED ARTIFICIAL STONE FOR FLAT STRUCTURES EVONIK GOLDSCHMIDT GMBH (DE) 2010-08-05 US disclosed
US-20100084597-A1 DEFOAMING OF IONIC LIQUIDS EVONIK DEGUSSA GMBH (DE) 2010-04-08 US disclosed
US-20100029519-A1 PERFORMANCE ADDITIVES FOR IMPROVING THE WETTING PROPERTIES OF IONIC LIQUIDS ON SOLID SURFACES EVONIK DEGUSSA GMBH (DE) 2010-02-04 US disclosed