SCHEMBL11065463

SCHEMBL11065463

CCN(CC)c1ccc(C2OC(=O)c3cc(OC)ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
MAOB P27338 1/20 0.45
ALDH1A1 P00352 7/20 0.40
GAA P10253 2/20 0.40
GFER P55789 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE4D Q08499 1/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL11073315 0.89 ALDH1A1 (0.45) ATMMAOBALDH1A1GAAL3MBTL1
SCHEMBL27884544 0.87 ALDH1A1 (0.44) ATMALDH1A1GAAGFERTP53
SCHEMBL11062345 0.87 ATM (0.47) ATMMAOBALDH1A1GAAGFER
SCHEMBL11070301 0.86 ATM (0.48) ATMMAOBALDH1A1GAAL3MBTL1
SCHEMBL1653589 0.84 ALDH1A1 (0.41) ATMMAOBALDH1A1GAAGFER
SCHEMBL10692102 0.81 LMNA (0.44) ATMMAOBALDH1A1TP53L3MBTL1
SCHEMBL338454 0.81 ALDH1A1 (0.41) ATMMAOBALDH1A1GAAL3MBTL1
SCHEMBL11084097 0.81 ALDH1A1 (0.54) ATMMAOBALDH1A1GAAALOX15
SCHEMBL6536165 0.80 ALDH1A1 (0.61) ATMALDH1A1GAAGFERL3MBTL1
SCHEMBL28995251 0.78 ALDH1A1 (0.43) ATMALDH1A1GAATP53ALOX15

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