SCHEMBL7288018

SCHEMBL7288018

COc1cccc(CCc2c(C(=O)O)ccc(OC)c2OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.53
APEX1 P27695 1/20 0.52
ABCB1 P08183 4/20 0.49
POLB P06746 2/20 0.48
KDM4E B2RXH2 2/20 0.48
DHODH Q02127 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
RAB9A P51151 2/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL7286934 0.93 APEX1 (0.50) SLC2A1APEX1ABCB1POLBKDM4E
SCHEMBL7283394 0.93 HDAC1 (0.50) SLC2A1APEX1ABCB1POLBKDM4E
SCHEMBL7294844 0.88 MAPT (0.50) SLC2A1APEX1ABCB1POLBKDM4E
SCHEMBL7287001 0.88 MAPT (0.47) SLC2A1APEX1TDP1MAPTALDH1A1
SCHEMBL7272682 0.87 MAPT (0.54) SLC2A1ABCB1POLBKDM4ETDP1
SCHEMBL7284175 0.86 APEX1 (0.53) SLC2A1APEX1POLBKDM4ETDP1
SCHEMBL17978208 0.85 APEX1 (0.56) APEX1KDM4EDHODHTDP1ALDH1A1
SCHEMBL7443571 0.84 LMNA (0.54) APEX1KDM4ETDP1MAPTALDH1A1
SCHEMBL7274102 0.84 MAPT (0.51) KDM4EDHODHTDP1MAPTALDH1A1
SCHEMBL7431001 0.83 SLC2A1 (0.60) SLC2A1ABCB1POLBDHODHALDH1A1

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 9 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
EP-0223598-B1 CATECHOLAMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF FISONS plc (GB) 1991-06-12 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
US-4883804-A Aromatic compounds FISONS PLC (GB) 1989-11-28 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
EP-0223598-A2 Catecholamine derivatives, processes for their preparation and pharmaceutical compositions thereof FISONS plc (GB) 1987-05-27 EP disclosed