SCHEMBL7443571

SCHEMBL7443571

COc1ccc(CCc2c(C(=O)O)ccc(OC)c2OC)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 1/20 0.54
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
APEX1 P27695 1/20 0.52
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LDHA P00338 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48

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
SCHEMBL7274102 0.86 MAPT (0.51) LMNASMN1; SMN2MAPK1PPARGPPARA
SCHEMBL7272682 0.86 MAPT (0.54) PPARGPPARAMAPTTDP1KDM4E
SCHEMBL7294844 0.85 MAPT (0.50) LMNASMN1; SMN2MAPK1PPARGPPARA
SCHEMBL7287001 0.84 MAPT (0.47) LMNASMN1; SMN2MAPK1PPARGPPARA
SCHEMBL7288018 0.84 SLC2A1 (0.53) SMN1; SMN2APEX1MAPTTDP1MEN1
SCHEMBL7284175 0.83 APEX1 (0.53) SMN1; SMN2APEX1MAPTTDP1MEN1
SCHEMBL10397460 0.81 PPARG (0.56) LMNASMN1; SMN2MAPK1PPARGPPARA
SCHEMBL7274826 0.78 MAPT (0.55) LMNASMN1; SMN2MAPK1PPARGPPARA
SCHEMBL7439149 0.78 FABP4 (0.47) SMN1; SMN2APEX1MAPTTDP1MEN1
SCHEMBL9516862 0.77 MEN1 (0.48) LMNASMN1; SMN2MAPK1MAPTMEN1

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