SCHEMBL7444183

SCHEMBL7444183

CCOC(=O)c1cc(CCc2cccc(OC)c2)c(OC)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.51
ABCG2 Q9UNQ0 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
HSD17B2 P37059 1/20 0.45
HTR1A P08908 2/20 0.44
DRD2 P14416 2/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL7437650 0.77 ABCB1 (0.60) ABCB1ABCG2HTR1ADRD2
Ethyltrimethoxy Benzoate SCHEMBL4410910 0.75 KMT2A (0.66) L3MBTL1MAPK1KMT2AMEN1HSD17B2
Methyl Alcohol SCHEMBL7428563 0.75 ABCB1 (0.74) ABCB1ABCG2HTR1ADRD2
SCHEMBL27957113 0.75 MMP1 (0.54) MAPTHTR1AMTNR1AMTNR1B
SCHEMBL7438145 0.75 ABCB1 (0.78) ABCB1ABCG2HTR1ADRD2
SCHEMBL1150074 0.74 NPC1 (0.51) ABCB1L3MBTL1TDP1MAPTMAPK1
SCHEMBL10382482 0.74 TUBB4A (0.54) ABCB1MAPTKMT2AMEN1POLB
SCHEMBL7448964 0.74 TUBB4A (0.54) ABCB1MAPTKMT2AMEN1POLB
SCHEMBL1149318 0.74 MAPT (0.49) ABCB1L3MBTL1TDP1MAPTMAPK1
SCHEMBL6274803 0.73 TDP1 (0.48) ABCB1L3MBTL1TDP1MAPTHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292202-B1 2-(3,4-DIHYDROXYPHENYL ETHYL AMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL COMPOUNDS FISONS plc (GB) 1992-09-02 EP disclosed
US-4939147-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC. (GB) 1990-07-03 US disclosed
US-4922022-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC (GB) 1990-05-01 US disclosed
EP-0314725-A1 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL FISONS plc (GB) 1989-05-10 EP disclosed
WO-1988009326-A1 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL FISONS PLC (GB) 1988-12-01 WO disclosed
EP-0292202-A1 2-(3,4-Dihydroxyphenyl ethyl amines, their preparation and use as pharmaceutical compounds FISONS plc (GB) 1988-11-23 EP disclosed