SCHEMBL8551743

SCHEMBL8551743

CC(O)CC(Oc1ccc(-c2cccc(C(=O)O)c2)cc1)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.51
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
SUCNR1 Q9BXA5 2/20 0.45
ADRB3 P13945 7/20 0.45
ADRB1 P08588 4/20 0.45
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
KCNA5 P22460 2/20 0.41
ADRB2 P07550 1/20 0.41
KCNH2 Q12809 1/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL8555638 0.92 SUCNR1 (0.43) KMOLMNAGAASUCNR1ADRB3
SCHEMBL8109544 0.87 SMN1; SMN2 (0.44) GAAADRB3ADRB1KCNA5KCNH2
SCHEMBL8550969 0.86 EPHX1 (0.46) ADRB3ADRB1RXRARXRBKCNA5
SCHEMBL8552459 0.85 CYP17A1 (0.44) ADRB3ADRB1FFAR1
SCHEMBL8554677 0.85 EPHX1 (0.42) LMNAGAAADRB3ADRB1RXRA
SCHEMBL8552624 0.85 CYP19A1 (0.47) ADRB3ADRB1MKNK1MKNK2KCNA5
SCHEMBL8118468 0.84 KCNA5 (0.45) SUCNR1ADRB3ADRB1KCNA5ADRB2
SCHEMBL8118689 0.84 KCNA5 (0.48) KCNA5
SCHEMBL8118264 0.84 DGAT2 (0.39) ADRB3ADRB1KCNA5ADRB2KCNH2
SCHEMBL8123208 0.84 MKNK1 (0.46) LMNAADRB3ADRB1MKNK1MKNK2

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