SCHEMBL12242549

SCHEMBL12242549

C=C(C)C(=O)COC(=O)CCc1ccc2cc(C#Cc3ccc(/C=C/C(=O)Oc4ccc(OCOC(=O)C(=C)C)cc4)cc3)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.34
KDM4E B2RXH2 4/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAOA P21397 1/20 0.33
SLC6A2 P23975 1/20 0.33
RAB9A P51151 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
AKR1C2 P52895 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA4 P22748 2/20 0.31
CA9 Q16790 2/20 0.31

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
SCHEMBL12242539 0.81 KMT2A (0.40) KDM4EMAPTKMT2AMEN1
SCHEMBL12375044 0.79 MAPT (0.41) AKR1C3KDM4EMAPTLMNANPC1
SCHEMBL13963268 0.79 KMT2A (0.39) KDM4EMAPTLMNASLC6A2SLC6A3
SCHEMBL12242535 0.79 FDPS (0.35) KDM4EMAPTALDH1A1HPGDCA12
SCHEMBL12242510 0.79 FDPS (0.35) KDM4EMAPTALDH1A1HPGDCA12
SCHEMBL13963230 0.78 KMT2A (0.36) KDM4EMAPTLMNASLC6A2SLC6A3
SCHEMBL12242492 0.77 FFAR1 (0.40) KDM4ETP53RAB9AALDH1A1HPGD
SCHEMBL12242508 0.76 CASP3 (0.38) KDM4ELMNARAB9ASMN1; SMN2CA12
SCHEMBL12242537 0.76 KMT2A (0.40) KDM4EMAPTKMT2AMEN1
SCHEMBL13963255 0.76 KMT2A (0.34) KDM4EMAPTLMNASLC6A2SLC6A3

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-8460576-B2 Liquid crystal composition containing polymerizable compound and liquid crystal display element using the same DIC CORPORATION (JP) 2013-06-11 US disclosed
US-20110253936-A1 LIQUID CRYSTAL COMPOSITION CONTAINING POLYMERIZABLE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME DIC CORPORATION (JP) 2011-10-20 US disclosed