SCHEMBL10302979

SCHEMBL10302979

CCCC(O)c1ccc(/C=C/C2CCC(c3ccc(OCC)cc3F)CC2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.31
▸ CPS1 P31327 2/20 0.30
▸ CAMKK1 Q8N5S9 1/20 0.30
▸ CAMKK2 Q96RR4 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
SCHEMBL10302973 0.92 — —
SCHEMBL10302983 0.91 ACACB (0.30) —
SCHEMBL10302993 0.90 MEN1 (0.34) CAMKK1CAMKK2
SCHEMBL10302962 0.88 — —
SCHEMBL13586443 0.87 FFAR1 (0.30) —
SCHEMBL12716197 0.87 MEN1 (0.33) CAMKK1CAMKK2
SCHEMBL10303407 0.86 CPS1 (0.35) CPS1
SCHEMBL10302949 0.86 — —
SCHEMBL10301837 0.85 CHRNB2 (0.31) CAMKK1CAMKK2
SCHEMBL10301838 0.84 CHRNB2 (0.32) CPS1CAMKK1CAMKK2

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
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 — — US disclosed
Send feedback