SCHEMBL9684810

SCHEMBL9684810

C[C@@](O)(CNC(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.56
HIF1A Q16665 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
KMT2A Q03164 3/20 0.42
MAPT P10636 1/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
KCNN4 O15554 1/20 0.41
NR3C2 P08235 1/20 0.40
LMNA P02545 3/20 0.40

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
SCHEMBL9684808 1.00 CYP2C19 (0.56) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL3112777 0.82 CYP2C19 (0.47) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL12496748 0.82 MEN1 (0.41) CYP2C19HDAC3HDAC4HDAC1HDAC7
SCHEMBL16830005 0.80 HPGD (0.39) CYP2C19KMT2AHTTPRSS1CTSG
SCHEMBL2065478 0.80 MEN1 (0.50) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL12393357 0.79 MAPT (0.46) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL5142176 0.78 CYP2C19 (0.56) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL7075423 0.78 KIF11 (0.44) CYP2C19HIF1AHDAC3HDAC4HDAC1
SCHEMBL8588291 0.77 KMT2A (0.47) CYP2C19HIF1AKMT2AMEN1HTT
SCHEMBL6017656 0.77 NPC1 (0.52) CYP2C19LMNARAB9AHTTPOLB

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-0513703-A2 Carbamate esters of eseroline having anticholinesterase activity, a process for their preparation and relative pharmaceutical compositions containing them as the active principle MAGIS FARMACEUTICI S.p.A. (IT) 1992-11-19 EP disclosed