SCHEMBL10697865

SCHEMBL10697865

COc1ccc(COc2c[nH]c(/C=C/C(=O)O)cc2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.47
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.44
PTGER4 P35408 2/20 0.43
PTGER2 P43116 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TNFRSF1A P19438 1/20 0.43
FFAR1 O14842 3/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
MAOB P27338 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
SCHEMBL10697870 1.00 HDAC8 (0.47) HDAC8THRBATMPTGER4PTGER2
SCHEMBL9650615 0.87 PTGER4 (0.53) PTGER4PTGER2KDM4ELMNAPTGER1
SCHEMBL9650626 0.87 PTGER4 (0.53) PTGER4PTGER2KDM4ELMNAPTGER1
SCHEMBL9366663 0.83 NPC1 (0.48) HDAC8NPC1POLBRAB9ASMN1; SMN2
SCHEMBL9741507 0.80 RAB9A (0.51) HDAC8NPC1POLBRAB9ASMN1; SMN2
SCHEMBL2438835 0.78 NPC1 (0.50) HDAC8NPC1POLBRAB9ASMN1; SMN2
SCHEMBL3601000 0.76 FFAR1 (0.57) NPC1POLBRAB9ASMN1; SMN2FFAR1
SCHEMBL3600996 0.76 POLB (0.44) HDAC8NPC1POLBRAB9ASMN1; SMN2
SCHEMBL106114 0.76 NPC1 (0.43) HDAC8NPC1POLBRAB9ASMN1; SMN2
SCHEMBL104633 0.74 MTNR1A (0.42) HDAC8NPC1POLBRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0265185-A2 Cephalosporins, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1988-04-27 EP disclosed