SCHEMBL12242562

SCHEMBL12242562

C=C(C)C(=O)Cc1ccc(C#Cc2ccc(-c3ccc(C(=O)Oc4ccc(COC(=O)C(=C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
MAPT P10636 5/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRB P10828 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KLK1 P06870 3/20 0.35
PRSS1 P07477 3/20 0.35
TMPRSS2 O15393 2/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 3/20 0.35
ELANE P08246 1/20 0.35
MAOB P27338 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
SCHEMBL12242517 0.97 KMT2A (0.39) KMT2AMAPTALDH1A1GAACYP2C9
SCHEMBL12242561 0.89 FFAR1 (0.38) ALDH1A1POLBAPEX1HTTTDP1
SCHEMBL12242498 0.89 FFAR1 (0.38) ALDH1A1POLBAPEX1HTTTDP1
SCHEMBL12242627 0.87 MAPT (0.46) KMT2AMAPTALDH1A1GAACYP2C9
SCHEMBL12242831 0.87 MAPT (0.46) KMT2AMAPTALDH1A1GAACYP2C9
SCHEMBL12242670 0.87 MAPT (0.46) KMT2AMAPTALDH1A1GAACYP2C9
SCHEMBL12242485 0.85 FFAR1 (0.41) ALDH1A1POLBAPEX1HTTTDP1
SCHEMBL12242559 0.85 FFAR1 (0.41) ALDH1A1POLBAPEX1HTTTDP1
SCHEMBL12242526 0.85 FFAR1 (0.41) ALDH1A1POLBAPEX1HTTTDP1
SCHEMBL12242447 0.85 KMT2A (0.39) KMT2AMAPTALDH1A1GAACYP2C9

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