SCHEMBL11903535

SCHEMBL11903535

O=C(NC1CCC1=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 3/20 0.65
CRBN Q96SW2 3/20 0.65
ALDH1A1 P00352 2/20 0.59
HTT P42858 1/20 0.56
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
IKZF3 Q9UKT9 1/20 0.47
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL7345968 0.88 HTT (0.60) DDB1CRBNALDH1A1HTTNPC1
SCHEMBL15477732 0.87 HTT (0.58) DDB1CRBNALDH1A1HTTNPC1
SCHEMBL12270646 0.81 KMT2A (0.60) DDB1CRBNALDH1A1HTTNPC1
SCHEMBL19370841 0.79 CRBN (1.00) DDB1CRBNALDH1A1IKZF3
SCHEMBL5742534 0.79 CRBN (1.00) DDB1CRBNALDH1A1IKZF3
SCHEMBL20773238 0.79 CRBN (1.00) DDB1CRBNALDH1A1IKZF3
SCHEMBL2465110 0.78 HTT (0.83) ALDH1A1HTTKMT2AMEN1
SCHEMBL3459886 0.78 HTT (0.83) ALDH1A1HTTKMT2AMEN1
SCHEMBL29742388 0.78 HTT (0.83) ALDH1A1HTTKMT2AMEN1
SCHEMBL3460628 0.78 HTT (0.83) ALDH1A1HTTKMT2AMEN1

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
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP claimed