SCHEMBL334971

SCHEMBL334971

CC(C)OC(=O)/C=C/c1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.60
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
GSR P00390 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CA12 O43570 1/20 0.51
AKR1B10 O60218 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
AKR1B1 P15121 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
NOS3 P29474 2/20 0.50
NOS1 P29475 2/20 0.50

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
SCHEMBL11827286 0.82 MAPT (0.59) MAOBMEN1KMT2ACA12AKR1B10
SCHEMBL28642609 0.82 CA12 (0.53) MAOBCA12AKR1B10CA1CA2
SCHEMBL21954717 0.82 CA12 (0.53) MAOBCA12AKR1B10CA1CA2
SCHEMBL11827282 0.82 MAPT (0.59) MAOBMEN1KMT2ACA12AKR1B10
SCHEMBL5707175 0.81 MAOB (0.69) MAOBHDAC1HDAC8HDAC6GSR
SCHEMBL2152899 0.81 MAOB (0.69) MAOBHDAC1HDAC8HDAC6GSR
SCHEMBL2152903 0.81 MAOB (0.69) MAOBHDAC1HDAC8HDAC6GSR
SCHEMBL336240 0.81 MMP1 (0.52) MAOBMEN1KMT2ACA12AKR1B10
SCHEMBL336239 0.81 MMP1 (0.52) MAOBMEN1KMT2ACA12AKR1B10
SCHEMBL15836 0.79 NFE2L2 (0.66) MAOBMEN1KMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069289-B1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2013-10-02 EP disclosed
CN-101516834-B Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI AVENTIS 2013-04-03 CN disclosed
US-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US disclosed
CN-101516834-A Isoserine derivatives for use as coagulation factor ixa inhibitors SANOFI AVENTIS (FR) 2009-08-26 CN disclosed
EP-2069289-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS Sanofi-Aventis (FR) 2009-06-17 EP disclosed
WO-2008031509-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI-AVENTIS (FR) 2008-03-20 WO disclosed