SCHEMBL905080

SCHEMBL905080

CC(NC(=O)OCCS)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
HSD17B10 Q99714 2/20 0.47
APAF1 O14727 1/20 0.47
CASR P41180 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
GAA P10253 1/20 0.46
GPR139 Q6DWJ6 1/20 0.46
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL17550875 0.84 ALDH1A1 (0.52) MEN1KMT2APOLBMAPTCTDSP1
SCHEMBL19750414 0.83 MEN1 (0.49) MEN1KMT2APOLBMAPTCTDSP1
SCHEMBL9317172 0.83 POLB (0.58) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL9371027 0.82 MEN1 (0.58) MEN1KMT2APOLBMAPTCTDSP1
SCHEMBL21798477 0.81 TDP1 (0.46) MEN1KMT2APOLBMAPTCTDSP1
SCHEMBL18210961 0.81 MEN1 (0.57) MEN1KMT2APOLBMAPTCTDSP1
SCHEMBL18356975 0.81 MEN1 (0.57) MEN1KMT2APOLBMAPTCTDSP1
SCHEMBL12986619 0.81 MEN1 (0.53) MEN1KMT2APOLBMAPTCTDSP1
SCHEMBL12986617 0.81 MEN1 (0.53) MEN1KMT2APOLBMAPTCTDSP1
SCHEMBL19750410 0.81 CTSK (0.47) MEN1KMT2APOLBMAPTCTDSP1

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-2011163317-A2 POLYMERIZABLE CARBAMATE AND THIOCARBAMATE COMPOUNDS, POLYMERS DERIVED FROM THEM, AND COMPOSITIONS THEREOF ISP INVESTMENTS INC. (US) 2011-12-29 WO disclosed