SCHEMBL11062345

SCHEMBL11062345

CCN(CC)c1ccc(C2OC(=O)c3cc(OC)ccc32)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
CA2 P00918 2/20 0.46
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAOB P27338 1/20 0.42
CYP19A1 P11511 2/20 0.40
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GFER P55789 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 1/20 0.38
GHSR Q92847 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL11073531 0.89 ALDH1A1 (0.43) ATMCA2ALDH1A1L3MBTL1MAPT
SCHEMBL11071747 0.89 ALDH1A1 (0.45) CA2ALDH1A1L3MBTL1MAPTHTT
SCHEMBL11065463 0.87 ATM (0.48) ATMALDH1A1L3MBTL1MAOBMAPT
SCHEMBL10690455 0.86 ALDH1A1 (0.41) CA2ALDH1A1L3MBTL1MAPTHTT
SCHEMBL11065598 0.83 ALDH1A1 (0.43) ATMCA2ALDH1A1L3MBTL1MAPT
SCHEMBL10694504 0.83 CA2 (0.51) ATMCA2ALDH1A1L3MBTL1MAOB
SCHEMBL10689226 0.82 KDM4E (0.41) ALDH1A1L3MBTL1CYP19A1MAPTTSHR
SCHEMBL11066781 0.82 GHSR (0.39) ATMCA2ALDH1A1L3MBTL1MAPT
SCHEMBL11073178 0.80 CA2 (0.43) ATMCA2ALDH1A1L3MBTL1CYP19A1
SCHEMBL10692313 0.79 MAOB (0.38) ALDH1A1L3MBTL1MAOBCYP19A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4443614-A LEUCO DYES, PHTHALEIN DYES, INDICATORS KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1984-04-17 US disclosed
US-4439610-A FROM AMINES AND PHTHALIDES, MULTISTAGE KANZAKI PAPER MANUFACTURING COMPANY, LTD. (JP) 1984-03-27 US disclosed
US-4323700-A OXIDIZING 3-PHENYL PHTHACIDE PERIVATIVES KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1982-04-06 US disclosed
US-4045458-A FRIEDEL-CRAFTS CATALYSTS KANZAKI PAPER MANUFACTURING CO., LTD. (JA) 1977-08-30 US disclosed