SCHEMBL2440413

SCHEMBL2440413

CC(O)C([O])N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 1/20 0.37
TSHR P16473 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KCNA5 P22460 1/20 0.35
HSD17B10 Q99714 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
POLB P06746 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL1259524 0.81 KCNA5 (0.37) SMN1; SMN2PKMALDH1A1MAPTKMT2A
SCHEMBL7161445 0.78 FDPS (0.36) SMN1; SMN2
SCHEMBL4359607 0.76 USP2 (0.39) SMN1; SMN2PKMALDH1A1MAPTKMT2A
SCHEMBL16584000 0.75
SCHEMBL134990 0.75
SCHEMBL11288832 0.75
SCHEMBL198111 0.75
SCHEMBL6384685 0.74 USP2 (0.38) SMN1; SMN2PKMALDH1A1MAPTKMT2A
SCHEMBL9694114 0.73 USP2 (0.46) SMN1; SMN2PKMALDH1A1MAPTKMT2A
SCHEMBL29105480 0.73 USP2 (0.41) SMN1; SMN2PKMALDH1A1MAPTKMT2A

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
WO-2011112588-A2 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2011-09-15 WO disclosed