SCHEMBL12375045

SCHEMBL12375045

C=C(C)C(=O)Cc1ccc2cc(CCC(=O)Oc3ccc(COC(=O)C(=C)C)cc3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41
SLC6A2 P23975 1/20 0.41
RAB9A P51151 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.40
CASP1 P29466 1/20 0.36
PTGS1 P23219 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL12375046 0.93 MAPT (0.38) MAPTLMNAKDM4ENPC1TP53
SCHEMBL12375027 0.88 KMT2A (0.43) MAPTLMNAKMT2AALDH1A1HTT
SCHEMBL12375060 0.85 KMT2A (0.46) MAPTLMNAKDM4ENPC1CYP1A2
SCHEMBL12375053 0.83 THRB (0.43) MAPTLMNAKDM4ENPC1TP53
SCHEMBL12375081 0.81 MAPT (0.52) MAPTLMNAKDM4ENPC1TP53
SCHEMBL12375042 0.80 KMT2A (0.32) KDM4EKMT2AALDH1A1
SCHEMBL13963233 0.80 AKR1B10 (0.38) MAPTLMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL13963299 0.80 PTGS1 (0.33) MAPTLMNAKDM4ENPC1TP53
SCHEMBL17791317 0.79 CYP1A2 (0.44) MAPTLMNAKDM4ENPC1TP53
SCHEMBL12375044 0.79 MAPT (0.41) MAPTLMNAKDM4ENPC1TP53

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