SCHEMBL8733452

SCHEMBL8733452

CCCCCCCCOc1ccc(-c2ccc(OC(=O)c3ccc(OC(=O)[C@@H](F)CCCCCC)cc3F)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.39
PPARD Q03181 6/20 0.37
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
PPARA Q07869 3/20 0.36
PPARG P37231 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34

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
SCHEMBL8733455 1.00 PTPN11 (0.39) PTPN11PPARDRARARARBPPARA
SCHEMBL8729757 0.89 PTPN11 (0.41) PTPN11PPARDRARARARBPPARA
SCHEMBL8729762 0.89 PTPN11 (0.41) PTPN11PPARDRARARARBPPARA
SCHEMBL8729765 0.89 PTPN11 (0.41) PTPN11PPARDRARARARBPPARA
SCHEMBL8733460 0.89 RARB (0.45) PTPN11PPARDRARARARBPPARA
SCHEMBL8733462 0.89 RARB (0.45) PTPN11PPARDRARARARBPPARA
SCHEMBL8733446 0.88 NPC1 (0.44) PTPN11RARBMAPTNFKB1NFKB2
SCHEMBL8733449 0.88 NPC1 (0.44) PTPN11RARBMAPTNFKB1NFKB2
SCHEMBL8731273 0.88 PTPN11 (0.41) PTPN11PPARDRARARARBPPARA
SCHEMBL8728167 0.86 THRA (0.41) PTPN11PPARDRARBMAPTTHRB

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-0703955-B1 LIQUID CRYSTAL MATERIALS, MIXTURES AND DEVICES SECR DEFENCE BRIT (GB) 1998-11-11 EP disclosed