SCHEMBL13869397

SCHEMBL13869397

C=CC(=O)OCC(CCCCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1)OC(=O)C=C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 4/20 0.38
NPC1 O15118 3/20 0.38
NFKB1 P19838 3/20 0.38
NFKB2 Q00653 3/20 0.38
RELA Q04206 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MMP3 P08254 1/20 0.36
HIF1A Q16665 1/20 0.36
THRB P10828 1/20 0.36
ADRB2 P07550 1/20 0.35

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
SCHEMBL13865615 0.93 NPC1 (0.43) MAPTALDH1A1LMNANPC1NFKB1
SCHEMBL13865597 0.93 NPC1 (0.43) MAPTALDH1A1LMNANPC1NFKB1
SCHEMBL13869670 0.89 HDAC1 (0.48) MAPTALDH1A1HDAC1HDAC2MMP3
SCHEMBL13869328 0.89 HDAC1 (0.48) MAPTALDH1A1HDAC1HDAC2MMP3
SCHEMBL13806666 0.88 ADRB2 (0.43) MAPTALDH1A1LMNANPC1NFKB1
SCHEMBL13869322 0.88 MMP3 (0.47) MAPTALDH1A1HDAC1HDAC2MMP3
SCHEMBL13869671 0.88 MMP3 (0.41) MAPTALDH1A1LMNANPC1NFKB1
SCHEMBL12172635 0.86 ALDH1A1 (0.48) MAPTALDH1A1LMNANPC1NFKB1
SCHEMBL13171675 0.86 ALDH1A1 (0.48) MAPTALDH1A1LMNANPC1NFKB1
SCHEMBL4344740 0.86 ALDH1A1 (0.48) MAPTALDH1A1LMNANPC1NFKB1

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