SCHEMBL9955958

SCHEMBL9955958

CN(C)CC1C(=O)CC(C)(C)CC1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.61
ALDH1A1 P00352 11/20 0.44
KMT2A Q03164 8/20 0.41
POLB P06746 3/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 2/20 0.39
MEN1 O00255 4/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 1/20 0.36
RECQL P46063 2/20 0.35
GAA P10253 2/20 0.35
HIF1A Q16665 1/20 0.34
PKM P14618 2/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL8154627 0.77 MAPT (1.00) MAPTALDH1A1KMT2APOLBTSHR
SCHEMBL5612700 0.75 MAPT (0.70) MAPTALDH1A1KMT2APOLBTSHR
SCHEMBL9240267 0.73 ALDH1A1 (0.36) MAPTALDH1A1KMT2AGAA
SCHEMBL26724015 0.73 CA1 (0.39) MAPTALDH1A1KMT2AGAA
SCHEMBL9956733 0.71 CRBN (0.36)
SCHEMBL9955837 0.68 MAPT (0.31) MAPT
SCHEMBL10794719 0.68 MAPT (0.59) MAPTALDH1A1KMT2APOLBTSHR
SCHEMBL1219343 0.68 MAPT (0.59) MAPTALDH1A1KMT2APOLBTSHR
SCHEMBL3666632 0.67 MAPT (0.57) MAPTALDH1A1KMT2APOLBTSHR
SCHEMBL7672914 0.67 MAPT (0.57) MAPTALDH1A1KMT2APOLBTSHR

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-2012085166-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-06-28 WO disclosed