SCHEMBL13340889

SCHEMBL13340889

CC1(COCOc2ccc(C(=O)Oc3ccc(OC(F)(F)F)cc3)cc2)COC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.39
KMT2A Q03164 3/20 0.37
MRGPRX4 Q96LA9 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACACB O00763 1/20 0.36
KCNH2 Q12809 4/20 0.36
HRH3 Q9Y5N1 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
MEN1 O00255 2/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL12951584 0.92 ACACB (0.43) CACNA1HKMT2AMRGPRX4TP53HPGD
SCHEMBL14099009 0.91 MAPT (0.40) CACNA1HKMT2AMRGPRX4TP53HPGD
SCHEMBL14099007 0.90 NPC1 (0.42) KMT2ASMN1; SMN2MMP2MMP9MMP8
SCHEMBL14099008 0.89 NPC1 (0.43) KMT2ASMN1; SMN2MMP2MMP9MMP8
SCHEMBL14099006 0.89 NPC1 (0.43) KMT2ASMN1; SMN2MMP2MMP9MMP8
SCHEMBL14099005 0.89 NPC1 (0.43) KMT2ASMN1; SMN2MMP2MMP9MMP8
SCHEMBL13932704 0.89 CACNA1H (0.40) CACNA1HKMT2AMRGPRX4TP53HPGD
SCHEMBL14099026 0.89 MMP2 (0.43) CACNA1HKMT2AMRGPRX4TP53HPGD
SCHEMBL14099030 0.88 HRH2 (0.42) CACNA1HKMT2ASMN1; SMN2KCNH2MMP2
SCHEMBL13024938 0.88 PPARD (0.36) CACNA1HKMT2AMRGPRX4MEN1

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
US-8419972-B2 Polymerizable liquid crystal composition JNC CORPORATION (JP) 2013-04-16 US disclosed
US-20100117027-A1 Polymerizable liquid crystal composition CHISSO CORPORATION 2010-05-13 US disclosed
US-7488519-B2 Polymerizable liquid crystal composition CHISSO CORPORATION (JP) 2009-02-10 US disclosed
US-20080241431-A1 Polymerizable liquid crystal composition CHISSO CORPORATION 2008-10-02 US disclosed