SCHEMBL9754501

SCHEMBL9754501

CCC(Oc1cccc2oc3ccccc3c12)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.47
PPARA Q07869 4/20 0.47
MAPT P10636 1/20 0.47
PTPN1 P18031 7/20 0.45
ADRB2 P07550 1/20 0.44
MAOA P21397 1/20 0.43
APEX1 P27695 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP2C9 P11712 1/20 0.39
PTPRF P10586 2/20 0.39
PTPRA P18433 2/20 0.39
DUSP3 P51452 2/20 0.39
PTPRC P08575 1/20 0.39
PTPRB P23467 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN12 Q05209 1/20 0.39
PTPN7 P35236 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
SCHEMBL11713689 0.86 ADRB2 (0.42) PPARGPPARAMAPTPTPN1ADRB2
SCHEMBL7959198 0.80 CYP2A6 (0.58) PPARGPPARAMAPTPTPN1SMN1; SMN2
SCHEMBL8821208 0.79 PPARG (0.67) PPARGPPARASMN1; SMN2
SCHEMBL8935882 0.79 PPARG (0.67) PPARGPPARASMN1; SMN2
SCHEMBL1732896 0.77 ADRB2 (0.46) PPARGPPARAMAPTADRB2SMN1; SMN2
SCHEMBL10431486 0.77 ADRB2 (0.45) MAPTADRB2MAOASMN1; SMN2CYP2C9
SCHEMBL6601225 0.76 ADRB2 (0.47) ADRB2MAOASMN1; SMN2
SCHEMBL1926672 0.76 MAOA (0.47) MAPTADRB2MAOAAPEX1SMN1; SMN2
SCHEMBL9648991 0.75 MAOA (0.59) PPARGPPARAMAPTMAOASMN1; SMN2
SCHEMBL22730026 0.74 PPARG (0.49) PPARGPPARAMAPTPTPN1MAOA

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
WO-1991014688-A1 HETERO POLYCYCLIC BIOCIDAL COMPOUNDS AND THEIR USE IN MEDECINE THE WELLCOME FOUNDATION LIMITED (GB) 1991-10-03 WO disclosed
EP-0447703-A1 Hetero polycyclic biocidal compounds, their synthesis and intermediates therefor,formulations containing them and their use in medicine THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-25 EP disclosed