SCHEMBL8553452

SCHEMBL8553452

CC(CC(Oc1ccc(-c2ccccc2)cc1Cl)c1cccnc1)OC(=O)C(=O)OC(C)CC(Oc1ccc(-c2ccccc2)cc1Cl)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 2/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
ADRB3 P13945 3/20 0.40
ADRB1 P08588 2/20 0.40
KMO O15229 1/20 0.39
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RORC P51449 2/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38

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
SCHEMBL8552369 0.85 EPHX1 (0.45) SUCNR1ADRB3ADRB1HTTAKR1C3
SCHEMBL8554522 0.82 KCNA5 (0.42) SUCNR1LMNAMKNK1MKNK2USP2
SCHEMBL8549826 0.76 KCNA5 (0.43)
SCHEMBL8551344 0.76 CYP19A1 (0.47) SUCNR1
SCHEMBL8556196 0.76 PDE4D (0.41) LMNAMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL8555243 0.74 AKR1C3 (0.41) SUCNR1ADRB3ADRB1MKNK1MKNK2
SCHEMBL8553713 0.74 CYP17A1 (0.42) LMNAADRB3ADRB1MAPT
SCHEMBL8552076 0.72 ITGB3 (0.42) SUCNR1
SCHEMBL8550969 0.71 EPHX1 (0.46) ADRB3ADRB1HTTSMN1; SMN2
SCHEMBL8555184 0.70 KCNA5 (0.40) SMN1; SMN2RORCAKR1C3AKR1C2

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