SCHEMBL8731273

SCHEMBL8731273

CCCCCCCCOc1ccc(-c2ccc(OC(=O)c3ccc(OC(=O)OC)cc3F)cc2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.41
PPARD Q03181 2/20 0.39
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
FAAH O00519 6/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8733497 0.88 PPARD (0.45) PTPN11PPARDRARARARBPPARG
SCHEMBL8455353 0.88 RARB (0.47) PTPN11PPARDRARARARBPPARA
SCHEMBL8733185 0.88 PTPN11 (0.43) PTPN11PPARDRARARARBNFKB1
SCHEMBL8733452 0.88 PTPN11 (0.39) PTPN11PPARDRARARARBPPARG
SCHEMBL8733455 0.88 PTPN11 (0.39) PTPN11PPARDRARARARBPPARG
SCHEMBL8448969 0.88 NPC1 (0.47) PTPN11RARBNFKB1NFKB2RELA
SCHEMBL8729757 0.86 PTPN11 (0.41) PTPN11PPARDRARARARBPPARG
SCHEMBL8729762 0.86 PTPN11 (0.41) PTPN11PPARDRARARARBPPARG
SCHEMBL8729765 0.86 PTPN11 (0.41) PTPN11PPARDRARARARBPPARG
SCHEMBL9509480 0.86 THRA (0.45) PTPN11RARBFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703955-B1 LIQUID CRYSTAL MATERIALS, MIXTURES AND DEVICES SECR DEFENCE BRIT (GB) 1998-11-11 EP disclosed
EP-0703955-A1 LIQUID CRYSTAL MATERIALS, MIXTURES AND DEVICES SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOV. OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1996-04-03 EP disclosed
WO-1994029405-A1 LIQUID CRYSTAL MATERIALS, MIXTURES AND DEVICES THE SECRETARY OF STATE FOR DEFENCE (GB) 1994-12-22 WO disclosed