SCHEMBL8411451

SCHEMBL8411451

O=C(NCc1ccccc1)[C@@H](O)CO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MMP8 P22894 2/20 0.54
EGFR P00533 1/20 0.51
GAA P10253 2/20 0.50
MME P08473 1/20 0.50
CYP2D6 P10635 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CACNA1C Q13936 1/20 0.49
SCN9A Q15858 1/20 0.49
CA9 Q16790 1/20 0.49
CA13 Q8N1Q1 1/20 0.49
CA14 Q9ULX7 1/20 0.49

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
SCHEMBL8411454 1.00 KMT2A (0.54) KMT2AMMP8EGFRGAAMME
SCHEMBL8412726 1.00 KMT2A (0.54) KMT2AMMP8EGFRGAAMME
SCHEMBL27449719 0.84 KMT2A (0.53) KMT2AMMP8EGFRGAAMME
SCHEMBL6284583 0.84 CYP2D6 (0.56) KMT2AMMP8EGFRGAAMME
SCHEMBL20407732 0.84 KMT2A (0.57) KMT2AMMP8GAAMMEALDH1A1
SCHEMBL9617186 0.84 MMP8 (0.53) KMT2AMMP8EGFRGAAMME
SCHEMBL17548796 0.84 KMT2A (0.57) KMT2AMMP8GAAMMEALDH1A1
SCHEMBL9276848 0.84 KMT2A (0.57) KMT2AMMP8GAAMMEALDH1A1
SCHEMBL714386 0.82 KMT2A (0.59) KMT2AMMP8GAAMMECYP2D6
SCHEMBL6522964 0.82 KMT2A (0.59) KMT2AMMP8GAAMMECYP2D6

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-5880158-A TREATMENT OF EPILEPSY AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS RESEARCH CORPORATION TECH., INC. (US) 1999-03-09 US disclosed
WO-1998013336-A1 PROPIONAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-04-02 WO disclosed