SCHEMBL9795183

SCHEMBL9795183

CN(C)CCC(=O)NC1CCC(O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 1/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
FASN P49327 1/20 0.38

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
SCHEMBL9499949 1.00 EPHX2 (0.48) EPHX2SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL16741512 0.93 SMN1; SMN2 (0.50) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL14174996 0.86 ALDH1A1 (0.53) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL12819865 0.84 SMN1; SMN2 (0.43) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL3225360 0.81 SMN1; SMN2 (0.43) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL11822035 0.79 EPHX2 (0.54) EPHX2SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL13573015 0.79 EPHX2 (0.54) EPHX2SMN1; SMN2HDAC3HDAC1HDAC2
Oxalic Acid SCHEMBL9795219 0.77 EPHX2 (0.47) EPHX2SMN1; SMN2ALDH1A1MAPTNPSR1
Oxalic Acid SCHEMBL9795222 0.77 EPHX2 (0.47) EPHX2SMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL3227685 0.76 SMN1; SMN2 (0.38) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10

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
US-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed