SCHEMBL13005202

SCHEMBL13005202

CCCCCCCC[N+]1=C(/C=C/C2=C(Cl)/C(=C/c3ccc(O)c(C(=O)O)c3)CCC2)C(C)(C)c2cc(C)ccc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
APP P05067 1/20 0.32
MAPT P10636 1/20 0.32
PRMT5 O14744 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT1 Q99873 1/20 0.31
PRMT8 Q9NR22 1/20 0.31
KAT8 Q9H7Z6 2/20 0.31
TRPM2 O94759 2/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL12866045 0.87 MEN1 (0.34) HDAC3HDAC1HDAC6APPMAPT
SCHEMBL24529754 0.71 HDAC3 (0.36) HDAC3HDAC1HDAC6
SCHEMBL13994362 0.71 FOLH1 (0.45) APPPRMT5CARM1PRMT1PRMT8
SCHEMBL20045217 0.71 MAPT (0.47) HDAC3HDAC1HDAC6APPMAPT
SCHEMBL10090498 0.70 FOLH1 (0.41)
SCHEMBL15033890 0.69 PRMT1 (0.53) APPMAPTPRMT5CARM1PRMT1
SCHEMBL13005252 0.69 APP (0.33) HDAC1APPMAPTKDM4EPOLB
SCHEMBL16000425 0.68 FOLH1 (0.46) HDAC3HDAC1HDAC6APPPRMT5
SCHEMBL18842929 0.68 PRMT1 (0.49) APPPRMT5CARM1PRMT1PRMT8
SCHEMBL16500584 0.68 FOLH1 (0.47) APPPRMT5CARM1PRMT1PRMT8

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-7851701-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-12-14 US disclosed