SCHEMBL23780939

SCHEMBL23780939

CC(=C1C=CC=C1)c1cccc(C(C)=C2C=CC=C2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FURIN P09958 1/20 0.38
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NOS1 P29475 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
THRB P10828 1/20 0.31
PARP1 P09874 2/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL11327171 0.87 HTT (0.47) KDM4EHTTKMT2AMEN1NPC1
SCHEMBL11329067 0.86 CES2 (0.48) KDM4EHDAC6KMT2AMEN1NPC1
SCHEMBL6890595 0.83 CES2 (0.41) ATML3MBTL1HTTALDH1A1GAA
SCHEMBL11318752 0.71 CES2 (0.42) ATML3MBTL1HTTKMT2AMEN1
SCHEMBL11313782 0.70 CES2 (0.41) NPC1RAB9ANOS1CES2CES1
SCHEMBL11329102 0.70 CES2 (0.41) KMT2AMEN1RAB9ANOS1ALDH1A1
SCHEMBL1551882 0.68 FURIN (0.46) FURINATMTDP1L3MBTL1HDAC8
SCHEMBL7893716 0.67 CES2 (0.48) L3MBTL1KDM4EALDH1A1HSD17B10PARP1
SCHEMBL1077116 0.64 PARP1 (0.50) L3MBTL1KDM4EHTTKMT2AMEN1
SCHEMBL167439 0.64 FURIN (0.43) FURINATMTDP1L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317238-A1 Bis(Metallocene) Compounds and Catalyst Compositions Employing Such Compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2021-10-14 US disclosed
US-20210284767-A1 Process for Preparing Polyethylene TOTAL RESEARCH & TECHNOLOGY FELUY (BE) 2021-09-16 US disclosed
US-20210277155-A1 Process for Preparing Polypropylene TOTAL RESEARCH & TECHNOLOGY FELUY (BE) 2021-09-09 US disclosed