SCHEMBL8414849

SCHEMBL8414849

CC(C)Oc1ccc(OC(C)C)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
POLB P06746 2/20 0.47
PARP10 Q53GL7 1/20 0.46
IRAK4 Q9NWZ3 2/20 0.42
GLA P06280 1/20 0.42
CSNK2A1 P68400 2/20 0.41
BRD4 O60885 1/20 0.41
BRPF1 P55201 1/20 0.41
TLR8 Q9NR97 1/20 0.40
MCHR1 Q99705 1/20 0.40
ALDH1A3 P47895 1/20 0.39
NR4A1 P22736 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
SCHEMBL1911924 0.88 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1MAPTTHRB
SCHEMBL9940526 0.83 NR4A1 (0.56) ALDH1A1KMT2AMEN1MAPTTHRB
SCHEMBL29732970 0.83 NR4A1 (0.56) ALDH1A1KMT2AMEN1MAPTTHRB
SCHEMBL22272206 0.82 POLB (0.46) ALDH1A1KMT2AMEN1MAPTTHRB
SCHEMBL3875281 0.81 POLB (0.49) ALDH1A1KMT2AMEN1MAPTTHRB
SCHEMBL16372665 0.79 ALDH1A1 (0.61) ALDH1A1THRBPOLBCSNK2A1TLR8
SCHEMBL4232206 0.79 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTPOLBPARP10
SCHEMBL24750311 0.78 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1MAPTTHRB
SCHEMBL1136306 0.78 POLB (0.46) ALDH1A1POLBIRAK4CSNK2A1TLR8
SCHEMBL10653792 0.78 TP53 (0.45) ALDH1A1KMT2APOLBPARP10GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611811-B1 RECORDING FLUID MITSUBISHI CHEM IND (JP) 1999-09-01 EP disclosed
EP-0844289-A2 Recording liquid MITSUBISHI KASEI CORPORATION (JP) 1998-05-27 EP disclosed
EP-0844288-A2 Recording liquid MITSUBISHI KASEI CORPORATION (JP) 1998-05-27 EP disclosed
US-5478384-A Recording liquid MITSUBISHI KASEI CORPORATION (JP) 1995-12-26 US disclosed
EP-0611811-A1 RECORDING FLUID MITSUBISHI KASEI CORPORATION (JP) 1994-08-24 EP disclosed
US-4431585-A THIAZOLE AND THIOPHENE DYES; DIAZOTIZATION; COUPLING CASSELLA AKTIENGESELLSCHAFT (DE) 1984-02-14 US disclosed
US-4329283-A DISPERSE DYES BAYER AKTIENGESELLSCHAFT (DE) 1982-05-11 US disclosed
EP-0035671-A1 Water-insoluble azo dyestuffs, methods for their preparation and their use in dyeing and printing synthetic hydrophobic fibre materials CASSELLA Aktiengesellschaft (DE) 1981-09-16 EP disclosed