SCHEMBL3797454

SCHEMBL3797454

CCOC(=O)C(=Cc1ccccc1)c1cccs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.60
MEN1 O00255 7/20 0.60
MAPT P10636 9/20 0.49
LMNA P02545 7/20 0.49
POLB P06746 2/20 0.49
PAX8 Q06710 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 2/20 0.47
RAB9A P51151 6/20 0.46
ALDH1A1 P00352 6/20 0.46
NPC1 O15118 5/20 0.46
NPSR1 Q6W5P4 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
TSHR P16473 2/20 0.46
CYP1A2 P05177 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
SCHEMBL490712 0.85 MEN1 (0.68) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL490713 0.85 MEN1 (0.68) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL9576263 0.84 ALOX5 (0.45) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL9576265 0.84 ALOX5 (0.45) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL15084628 0.82 ALDH1A1 (0.47) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL24704034 0.80 MEN1 (0.70) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL7527305 0.80 MEN1 (0.70) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL648889 0.80 MEN1 (0.70) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL28319570 0.78 ALDH1A1 (0.44) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL28070065 0.78 ALDH1A1 (0.44) KMT2AMEN1MAPTLMNAPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084216-B1 RADIATION CURABLE HYBRID COMPOSITION AND PROCESS CYTEC SURFACE SPECIALTIES SA (BE) 2013-08-07 EP disclosed
US-20100075062-A1 RADIATION CURABLE HYBRID COMPOSITION AND PROCESS CYTEC SURFACE SPECIALITIES S.A. (BE) 2010-03-25 US disclosed
EP-2084216-A1 RADIATION CURABLE HYBRID COMPOSITION AND PROCESS Cytec Surface Specialties, S.A. (BE) 2009-08-05 EP disclosed
WO-2008058849-A1 RADIATION CURABLE HYBRID COMPOSITION AND PROCESS CYTEC SURFACE SPECIALTIES, S.A. (BE) 2008-05-22 WO disclosed