SCHEMBL13869671

SCHEMBL13869671

C=CC(=O)OCC(COCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1)OC(=O)C=C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 6/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
MMP2 P08253 8/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
LMNA P02545 3/20 0.37
NPC1 O15118 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL13869185 0.92 MMP3 (0.46) MMP3HDAC1HDAC2MMP2MAPT
SCHEMBL13865598 0.91 LMNA (0.44) MAPTALDH1A1LMNANPC1CYP1A2
SCHEMBL13865607 0.91 LMNA (0.44) MAPTALDH1A1LMNANPC1CYP1A2
SCHEMBL13806682 0.89 MMP3 (0.42) MMP3HDAC1HDAC2MMP2MAPT
SCHEMBL13869397 0.88 MAPT (0.40) MMP3HDAC1HDAC2MMP2MAPT
SCHEMBL24599323 0.85 MMP3 (0.49) MMP3HDAC1HDAC2MMP2MAPT
SCHEMBL16425790 0.85 MMP3 (0.49) MMP3HDAC1HDAC2MMP2MAPT
SCHEMBL14130800 0.85 MMP3 (0.49) MMP3HDAC1HDAC2MMP2MAPT
SCHEMBL12676172 0.84 HDAC1 (0.50) MMP3HDAC1HDAC2MMP2MAPT
SCHEMBL13865636 0.84 THRB (0.40) MMP3HDAC1HDAC2MMP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7527746-B2 Liquid crystal polyfunctional acrylate derivative and polymer thereof CHISSO CORPORATION (JP) 2009-05-05 US disclosed