SCHEMBL8552479

SCHEMBL8552479

CC(O)CC(Oc1ccc(-c2cccc(CO)c2)cc1)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.44
FFAR1 O14842 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
FYN P06241 2/20 0.39
ADRB3 P13945 3/20 0.38
ADRB1 P08588 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
EPHX2 P34913 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PSMB5 P28074 1/20 0.37
PTAFR P25105 1/20 0.37
CASR P41180 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL8552459 0.87 CYP17A1 (0.44) FFAR1ADRB3ADRB1PTAFRCYP17A1
SCHEMBL8552624 0.86 CYP19A1 (0.47) MKNK1MKNK2ADRB3ADRB1PSMB5
SCHEMBL8109544 0.86 SMN1; SMN2 (0.44) ADRB3ADRB1PSMB5KDM4ECYP17A1
SCHEMBL8118468 0.86 KCNA5 (0.45) FFAR1ADRB3ADRB1CYP17A1CYP19A1
SCHEMBL8123208 0.86 MKNK1 (0.46) FFAR1MKNK1MKNK2ADRB3ADRB1
SCHEMBL8118264 0.86 DGAT2 (0.39) FFAR1ADRB3ADRB1CYP17A1CYP19A1
SCHEMBL8118689 0.86 KCNA5 (0.48) PTAFRCASRCYP17A1CYP19A1CYP11B1
SCHEMBL8553727 0.85 FFAR1 (0.47) FFAR1HPGDHTTSMN1; SMN2
SCHEMBL8117772 0.83 KCNA5 (0.45) HPGDKDM4ECYP17A1CYP19A1CYP11B1
SCHEMBL8672155 0.83 KCNA5 (0.48) FFAR1CYP17A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865431-A2 COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-09-23 EP disclosed
WO-1997020815-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-06-12 WO disclosed