SCHEMBL7046559

SCHEMBL7046559

CCCC1CCC(C(O)CCC(C(=O)O)c2ccc(OCC)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.33
ACACB O00763 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
F11 P03951 1/20 0.32
KLKB1 P03952 1/20 0.32
CYP2C9 P11712 1/20 0.31
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR1 O14842 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7046558 1.00 PPARG (0.33) PPARGACACBFFAR4F11KLKB1
SCHEMBL15329810 0.90 KMT2A (0.32) PPARGPTGESALOX5KMT2A
SCHEMBL7042371 0.88 ALDH1A1 (0.32) ACACBKMT2AALDH1A1
SCHEMBL7042368 0.88 ALDH1A1 (0.32) ACACBKMT2AALDH1A1
SCHEMBL15343709 0.88 KMT2A (0.31) KMT2A
SCHEMBL6517541 0.82 F11 (0.38) PPARGACACBFFAR4F11KLKB1
SCHEMBL6517547 0.82 F11 (0.38) PPARGACACBFFAR4F11KLKB1
SCHEMBL25693810 0.80 PDE2A (0.39) ACACBFFAR4CYP2C9KMT2AALDH1A1
SCHEMBL10021046 0.79 PPARG (0.32) PPARGACACB
SCHEMBL17997300 0.77 PDE2A (0.36) CYP2C9

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-0967261-B1 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition containing said liquid crystal compound and liquid crystal display device using said composition CHISSO CORP (JP) 2003-04-02 EP disclosed
EP-0967261-A1 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition containing said liquid crystal compound and liquid crystal display device using said composition Chisso Corporation (JP) 1999-12-29 EP disclosed