SCHEMBL12375054

SCHEMBL12375054

C=C(C)C(=O)COc1ccc2cc(-c3ccc(CCC(=O)Oc4ccc(OCOC(=O)C(=C)C)cc4)cc3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
FFAR1 O14842 5/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAOA P21397 1/20 0.34
SLC6A2 P23975 1/20 0.34
RAB9A P51151 1/20 0.34
SLC6A3 Q01959 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
AKR1C3 P42330 2/20 0.33
AKR1B1 P15121 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PPARD Q03181 1/20 0.32

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
SCHEMBL12375048 0.95 MAPT (0.37) KMT2AFFAR1MAPTKDM4ENPC1
SCHEMBL12375021 0.93 KMT2A (0.42) KMT2AFFAR1MAPTLMNAPOLB
SCHEMBL12375044 0.92 MAPT (0.41) KMT2AMAPTKDM4ENPC1LMNA
SCHEMBL12375034 0.90 KMT2A (0.44) KMT2AFFAR1MAPTLMNAPOLB
SCHEMBL16425296 0.80 MAPT (0.43) KMT2AFFAR1MAPTRAB9AAKR1B1
SCHEMBL13963249 0.80 KMT2A (0.34) KMT2AMAPTKDM4ECYP1A2CYP3A4
SCHEMBL13963255 0.79 KMT2A (0.34) KMT2AMAPTKDM4ELMNASLC6A2
SCHEMBL11986159 0.79 KMT2A (0.43) KMT2AMAPTLMNAPOLBAPEX1
SCHEMBL12375024 0.79 THRB (0.43) KMT2AFFAR1MAPTAKR1C3FFAR4
SCHEMBL12375052 0.78 THRB (0.40) KMT2AFFAR1MAPTHSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440101-B2 Liquid crystal composition containing polymerizable compound and liquid crystal display element using the same DIC CORPORATION (JP) 2013-05-14 US disclosed
US-20110186776-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2011-08-04 US disclosed