SCHEMBL13005243

SCHEMBL13005243

CC1(C)/C(=C\c2cccc(C(=O)O)c2O)N(CCO)c2ccc(Cl)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
PRMT1 Q99873 1/20 0.36
KCNK2 O95069 2/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TP53 P04637 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
KCNK10 P57789 1/20 0.34
KCNK4 Q9NYG8 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
MYC P01106 1/20 0.33
NR4A1 P22736 1/20 0.33
GAA P10253 1/20 0.33
CBX7 O95931 1/20 0.33
CDYL Q9Y232 1/20 0.33
PFKFB4 Q16877 1/20 0.32

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
SCHEMBL12866227 0.83 ALDH1A1 (0.35) LMNAALDH1A1PRMT1KCNK2PTGDR2
SCHEMBL12880694 0.82 ALDH1A1 (0.35) LMNAALDH1A1PTGDR2KDM4ETP53
SCHEMBL12881948 0.76 PTGDR2 (0.41) LMNAALDH1A1PRMT1KCNK2PTGDR2
SCHEMBL7836004 0.70 LMNA (0.46) LMNAALDH1A1KCNK2PTGDR2KDM4E
SCHEMBL30274468 0.67 KCNK2 (0.45) LMNAALDH1A1PRMT1KCNK2PTGDR2
SCHEMBL12894607 0.65 ALDH1A1 (0.36) LMNAALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL14062762 0.65 LMNA (0.43) LMNAALDH1A1KCNK2PTGDR2KDM4E
SCHEMBL14414133 0.62 MAPT (0.58) LMNAALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL12880691 0.62 CA1 (0.40) LMNAALDH1A1KDM4ESMN1; SMN2MYC
SCHEMBL4807510 0.62 LMNA (0.43) LMNAALDH1A1PTGDR2KDM4ESMN1; SMN2

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