SCHEMBL9400699

SCHEMBL9400699

C=C(CC(=O)CC#N)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MCL1 Q07820 5/20 0.38
TET2 Q6N021 4/20 0.32
TET3 O43151 1/20 0.32
TET1 Q8NFU7 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
GRM1 Q13255 1/20 0.31
GRM2 Q14416 1/20 0.31

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
SCHEMBL50985 0.80
SCHEMBL6662073 0.75
SCHEMBL6670306 0.75
SCHEMBL1809603 0.71 ALOX15 (0.57) ALOX15HSD17B10TET2TET3TET1
SCHEMBL3992204 0.71
SCHEMBL4579976 0.70 ALOX15 (0.58) ALOX15HSD17B10TET2TET3TET1
SCHEMBL10061456 0.70 ALOX15 (0.46) ALOX15HSD17B10TET2TET3TET1
Itaconate SCHEMBL8068645 0.69 ALOX15 (0.71) ALOX15HSD17B10TET2TET3TET1
SCHEMBL8618420 0.69 TDP1 (0.45) ALOX15HSD17B10TET2TET3TET1
SCHEMBL16798172 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5286893-A Enzyme inhibitors for mixing with thienamycin(and derivatives) to prevent hydrolysis BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1994-02-15 US claimed
US-5238930-A Selective inactivators of renal dipeptidases BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1993-08-24 US claimed