SCHEMBL8201797

SCHEMBL8201797

C=C(Cl)CC(C(=O)OC)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
MME P08473 1/20 0.33
KMT2A Q03164 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
CA14 Q9ULX7 1/20 0.31
PTPRB P23467 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL13329286 0.79 ALDH1A1 (0.39) SMN1; SMN2MMEKMT2ACA1CA2
SCHEMBL8201275 0.77 SMN1; SMN2 (0.36) SMN1; SMN2MMEKMT2ACA1CA2
SCHEMBL9210893 0.77 CA1 (0.50) SMN1; SMN2GRIK1GRIK2MMEKMT2A
SCHEMBL15363829 0.76 ALDH1A1 (0.41) SMN1; SMN2MMEKMT2ACA1CA2
SCHEMBL28356315 0.76 TET2 (0.45) SMN1; SMN2GRIK1GRIK2MMEKMT2A
SCHEMBL8192827 0.75 KMT2A (0.43) SMN1; SMN2GRIK1GRIK2MMEKMT2A
SCHEMBL8192831 0.75 KMT2A (0.43) SMN1; SMN2GRIK1GRIK2MMEKMT2A
SCHEMBL2098816 0.73 ALDH1A1 (0.43) SMN1; SMN2MMEKMT2ACA1CA2
SCHEMBL6442162 0.73 TSHR (0.46) SMN1; SMN2MMEKMT2ACA1CA2
SCHEMBL28674447 0.73 SMN1; SMN2 (0.36) SMN1; SMN2MMEKMT2ACA1CA2

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
EP-0882138-B1 STEREOSELECTIVE PREPARATION OF 2-SUBSTITUTED SUCCINIC DERIVATIVES BOEHRINGER INGELHEIM CA LTD (CA) 2000-07-05 EP disclosed
EP-0882138-A1 STEREOSELECTIVE PREPARATION OF 2-SUBSTITUTED SUCCINIC DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1998-12-09 EP disclosed
US-5808085-A CHEMICAL INTERMEDIATES FOR RENIN INHIBITING COMPOUNDS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1998-09-15 US disclosed
WO-1997023641-A1 STEREOSELECTIVE PREPARATION OF 2-SUBSTITUTED SUCCINIC DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD./BOEHRINGER INGELHEIM (CANADA) LTÉE (CA) 1997-07-03 WO disclosed