SCHEMBL328593

SCHEMBL328593

CC(=O)C(=O)C(C)/C=C/N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.42
ALDH1A1 P00352 6/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 6/20 0.40
USP2 O75604 3/20 0.40
ALOX12 P18054 3/20 0.40
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPK1 P28482 1/20 0.39
PKM P14618 1/20 0.36
TP53 P04637 2/20 0.35
IDO1 P14902 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6582224 0.74 RECQL (0.39) RECQLALDH1A1GAAMAPTUSP2
SCHEMBL10149607 0.74 RECQL (0.39) RECQLALDH1A1GAAMAPTUSP2
SCHEMBL31531962 0.72 ALDH1A1 (0.46) RECQLALDH1A1GAAMAPTUSP2
SCHEMBL17010360 0.71 MAPT (0.49) RECQLALDH1A1GAAMAPTUSP2
SCHEMBL12268038 0.69 ALDH1A1 (0.70) RECQLALDH1A1GAAMAPTUSP2
SCHEMBL28716123 0.65 RAB9A (0.53) RECQLALDH1A1GAAMAPTUSP2
SCHEMBL14998060 0.64 ALDH1A1 (0.42) RECQLALDH1A1GAAMAPTUSP2
SCHEMBL9419538 0.63 ALDH1A1 (0.41) RECQLALDH1A1GAAMAPTUSP2
SCHEMBL16116063 0.63 RECQL (0.58) RECQLALDH1A1GAAMAPTUSP2
SCHEMBL16116072 0.63 RECQL (0.58) RECQLALDH1A1GAAMAPTUSP2

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-2428509-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-03-14 EP disclosed