SCHEMBL13005244

SCHEMBL13005244

COCCN1/C(=C/c2ccc(O)c(C(=O)O)c2)C(C)(C)c2cc(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.44
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
DHODH Q02127 1/20 0.38
HSD17B3 P37058 1/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTGS2 P35354 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAOB P27338 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
KCNK2 O95069 1/20 0.34
AR P10275 1/20 0.34

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
SCHEMBL12866278 0.88 PTGDR2 (0.42) PTGDR2HSD17B3ALDH1A1LMNAKDM4E
SCHEMBL12866224 0.84 PTGDR2 (0.40) PTGDR2HSD17B3ALDH1A1LMNAKDM4E
SCHEMBL13005253 0.80 CA1 (0.40) PTGDR2CA1CA2DHODHHSD17B3
SCHEMBL12880691 0.80 CA1 (0.40) CA1CA2DHODHALDH1A1LMNA
SCHEMBL12881948 0.77 PTGDR2 (0.41) PTGDR2ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL13005245 0.73 APP (0.33) KDM4E
SCHEMBL13005243 0.71 LMNA (0.36) PTGDR2ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL13005252 0.71 APP (0.33) ALDH1A1LMNAKDM4EHPGDMAPK1
SCHEMBL4975848 0.69 PTGDR2 (0.47) PTGDR2ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL12866282 0.67 CXCL12 (0.39) PTGDR2HSD17B3KDM4EPTGS2MAPK1

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