SCHEMBL6518366

SCHEMBL6518366

C=C(CCCCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
MMP3 P08254 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
MMP2 P08253 2/20 0.47
NPC1 O15118 2/20 0.45
LMNA P02545 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
HIF1A Q16665 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL9436675 0.92 MMP2 (0.55) HDAC1HDAC2MMP3ALDH1A1MAPT
SCHEMBL9412044 0.91 MMP2 (0.53) HDAC1HDAC2MMP3ALDH1A1MAPT
SCHEMBL1274377 0.86 HDAC1 (0.66) HDAC1HDAC2MMP3ALDH1A1MAPT
SCHEMBL4408915 0.86 HDAC1 (0.66) HDAC1HDAC2MMP3ALDH1A1MAPT
SCHEMBL4846755 0.85 MMP3 (0.65) HDAC1HDAC2MMP3ALDH1A1MAPT
SCHEMBL3849333 0.85 MMP2 (0.59) HDAC1HDAC2MMP3ALDH1A1MAPT
SCHEMBL712660 0.82 HDAC1 (0.55) HDAC1HDAC2MMP3ALDH1A1MAPT
SCHEMBL2240358 0.81 MMP3 (0.45) HDAC1HDAC2MMP3ALDH1A1MAPT
SCHEMBL9493472 0.81 HDAC1 (0.48) HDAC1HDAC2MMP3ALDH1A1MAPT
SCHEMBL8535590 0.81 NPC1 (0.67) ALDH1A1MAPTNPC1LMNANFKB1

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-20050158580-A1 Organic electro luminescent display device ITO MASATO (JP) 2005-07-21 US claimed
US-20050158580-A1 Organic electro luminescent display device ITO MASATO (JP) 2005-07-21 US disclosed