SCHEMBL7325807

SCHEMBL7325807

CC(C)Oc1ccc(N)cc1OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
GAA P10253 4/20 0.50
CSNK2A1 P68400 2/20 0.43
TLR8 Q9NR97 1/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NR4A1 P22736 1/20 0.40
POLB P06746 2/20 0.39
USP2 O75604 2/20 0.38
MCHR1 Q99705 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 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
Hydrochloric Acid SCHEMBL10607534 0.98 ALDH1A1 (0.53) ALDH1A1GAACSNK2A1TLR8MAPT
SCHEMBL2088008 0.90 GAA (0.43) ALDH1A1GAACSNK2A1TLR8MAPT
SCHEMBL4038709 0.90 GAA (0.43) ALDH1A1GAACSNK2A1TLR8MAPT
SCHEMBL1010304 0.90 KDM4E (0.50) ALDH1A1GAACSNK2A1MAPTKDM4E
SCHEMBL2371617 0.90 MAPT (0.55) ALDH1A1GAACSNK2A1MAPTKDM4E
SCHEMBL2372811 0.85 MAPT (0.64) ALDH1A1GAACSNK2A1MAPTKDM4E
SCHEMBL7519140 0.84 ALDH1A1 (0.44) ALDH1A1GAACSNK2A1TLR8MAPT
SCHEMBL3875281 0.84 POLB (0.49) ALDH1A1GAACSNK2A1TLR8MAPT
SCHEMBL3704321 0.83 ALDH1A1 (0.48) ALDH1A1GAACSNK2A1TLR8MAPT
SCHEMBL8145073 0.83 ALDH1A1 (0.48) ALDH1A1GAACSNK2A1TLR8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0852142-A1 Diamines in the treatment of arrhythmia SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1998-07-08 EP disclosed
EP-0639973-A1 DIAMINES IN THE TREATMENT OF ARRHYTHMIA SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1995-03-01 EP disclosed
WO-1993023024-A1 DIAMINES IN THE TREATMENT OF ARRHYTHMIA SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1993-11-25 WO disclosed
EP-0201026-B1 METAL COMPLEX DYES BAYER AG (DE) 1989-09-13 EP disclosed
US-4772687-A AZO DYES, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1988-09-20 US disclosed
EP-0201026-A2 Metal complex dyes BAYER AG (DE) 1986-11-12 EP disclosed
US-4022799-A DYEING, PRINTING OF NATURAL AND SYNTHETIC MATERIALS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 US disclosed
US-4001253-A NAPHTHOLACTAM DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-3956264-A Basic azo dyestuffs having indolyl-methyleneamino substituent in the diazo component BAYER AKTIENGESELLSCHAFT (DT) 1976-05-11 US disclosed
US-3950347-A NAPHTHOLACTAM DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-13 US disclosed