SCHEMBL13639735

SCHEMBL13639735

C/C=C(/CC(=O)O)SC(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
APAF1 O14727 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GPR139 Q6DWJ6 1/20 0.37
MME P08473 1/20 0.37
RECQL P46063 2/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL1959777 0.72 TSHR (0.46) MAPTKMT2ALMNAMEN1RECQL
SCHEMBL28340407 0.71 CYP2D6 (0.41) MAPTKMT2ALMNARECQL
SCHEMBL9817188 0.70 CYP2C19 (0.41) CYP2C19KMT2ALMNA
SCHEMBL7403222 0.70 KMT2A (0.41) MAPTAPAF1KMT2ALMNAMEN1
SCHEMBL23215107 0.69 KMT2A (0.53) MAPTAPAF1KMT2ASLC6A3GPR139
SCHEMBL27838181 0.69 GPR139 (0.49) MAPTKMT2ALMNAGPR139RECQL
SCHEMBL29664591 0.69 KMT2A (0.53) MAPTAPAF1KMT2ASLC6A3GPR139
SCHEMBL10076865 0.69 HPGD (0.44) MAPTKMT2ALMNARECQLMTNR1A
SCHEMBL3929030 0.69 POLB (0.44) MAPTKMT2APOLBLMNAMEN1
SCHEMBL7114570 0.67 PTGS2 (0.47) MAPTAPAF1KMT2APOLBMEN1

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-1948146-B1 NOVEL MULTI-CYCLIC COMPOUNDS AND THEIR USE REVOTAR BIOPHARMACEUTICALS AG (DE) 2012-11-07 EP disclosed