SCHEMBL7042368

SCHEMBL7042368

CCC[C@H]1CC[C@H](C(O)CCC(C(=O)OC(C)(C)C)c2ccc(OCC)c(F)c2F)CC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
ACACB O00763 1/20 0.30
GPR119 Q8TDV5 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
SCHEMBL7042371 1.00 ALDH1A1 (0.32) ALDH1A1KMT2AACACBGPR119
SCHEMBL7046558 0.88 PPARG (0.33) ALDH1A1KMT2AACACB
SCHEMBL7046559 0.88 PPARG (0.33) ALDH1A1KMT2AACACB
SCHEMBL15329810 0.79 KMT2A (0.32) KMT2A
SCHEMBL15343709 0.77 KMT2A (0.31) KMT2A
SCHEMBL9898893 0.77 CNR2 (0.34)
SCHEMBL9898896 0.77 CNR2 (0.34)
SCHEMBL25693810 0.77 PDE2A (0.39) ALDH1A1KMT2AACACB
SCHEMBL10021046 0.76 PPARG (0.32) ACACB
SCHEMBL17997300 0.74 PDE2A (0.36)

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