SCHEMBL7284175

SCHEMBL7284175

COc1ccc(C(=O)O)c(CCc2cccc(Cl)c2)c1OC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.53
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
ACHE P22303 1/20 0.45
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
PDE4D Q08499 3/20 0.43
SLC2A1 P11166 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
MDM2 Q00987 1/20 0.42

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
SCHEMBL7287001 0.86 MAPT (0.47) APEX1PKMMAPTTDP1ACHE
SCHEMBL7288018 0.86 SLC2A1 (0.53) APEX1POLBMEN1KMT2AMAPT
SCHEMBL2313792 0.86 APEX1 (0.53) APEX1POLBPKMMRGPRX4MEN1
SCHEMBL7272682 0.86 MAPT (0.54) POLBPKMMAPTTDP1PDE4D
SCHEMBL7443571 0.83 LMNA (0.54) APEX1MEN1KMT2AMAPTTDP1
SCHEMBL7296118 0.80 SLC2A1 (0.49) APEX1POLBPKMMEN1KMT2A
SCHEMBL7439149 0.80 FABP4 (0.47) APEX1POLBMEN1KMT2AMAPT
SCHEMBL7294844 0.80 MAPT (0.50) APEX1POLBMEN1KMT2AMAPT
SCHEMBL7286934 0.80 APEX1 (0.50) APEX1POLBMAPTTDP1PDE4D
SCHEMBL7283394 0.80 HDAC1 (0.50) APEX1POLBMAPTTDP1PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0223598-A2 Catecholamine derivatives, processes for their preparation and pharmaceutical compositions thereof FISONS plc (GB) 1987-05-27 EP disclosed