SCHEMBL17301261

SCHEMBL17301261

CC(C)(C)c1cc(OC(=O)c2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.53
MAPT P10636 5/20 0.51
TDP1 Q9NUW8 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
POLB P06746 2/20 0.45
MCHR1 Q99705 1/20 0.44
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
PARP10 Q53GL7 1/20 0.43
FSHR P23945 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL20548871 0.92 RARA (0.50) NR1H4MAPTTDP1L3MBTL1KMT2A
SCHEMBL778225 0.85 NR1H4 (0.60) NR1H4MAPTTDP1L3MBTL1KMT2A
SCHEMBL17301254 0.85 NR1H4 (0.57) NR1H4MAPTTDP1L3MBTL1KMT2A
SCHEMBL13463776 0.85 KMT2A (0.57) NR1H4MAPTL3MBTL1KMT2APOLB
SCHEMBL12154224 0.83 NR1H4 (0.56) NR1H4MAPTTDP1L3MBTL1KMT2A
SCHEMBL20548503 0.83 MAPT (0.54) NR1H4MAPTTDP1L3MBTL1KMT2A
SCHEMBL13463774 0.83 NR1H4 (0.59) NR1H4MAPTTDP1L3MBTL1KMT2A
SCHEMBL13463777 0.83 KMT2A (0.56) NR1H4MAPTTDP1L3MBTL1KMT2A
SCHEMBL10904763 0.82 NR1H4 (0.51) NR1H4MAPTTDP1L3MBTL1KMT2A
SCHEMBL17301223 0.82 MAPT (0.51) MAPTTDP1KMT2AMEN1PDGFRB

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
US-20150344782-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL AND METHOD FOR MANUFACTURING THE SAME, AND FILM FUJIFILM CORPORATION (JP) 2015-12-03 US disclosed