SCHEMBL14765703

SCHEMBL14765703

CCOc1ccc(-c2ccc(/C=C/c3ccc(C4CCC(OCC)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.38
TUBB1 Q9H4B7 2/20 0.36
KDM1A O60341 2/20 0.34
CAMKK1 Q8N5S9 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
FFAR1 O14842 2/20 0.32
PPARD Q03181 2/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
TNFRSF1A P19438 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
LTB4R Q15722 1/20 0.31
PTGS2 P35354 1/20 0.30
PTGDR Q13258 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL14765958 0.93 HTR2C (0.33) NAAATUBB1
SCHEMBL12822577 0.92 TUBB1 (0.39) NAAATUBB1KDM1ACAMKK1CAMKK2
SCHEMBL14765858 0.92 NAAA (0.35) NAAATUBB1KDM1ACAMKK1CAMKK2
SCHEMBL12734452 0.91 TUBB1 (0.37) NAAATUBB1KDM1ACAMKK1CAMKK2
SCHEMBL14765706 0.91 S1PR1 (0.33) NAAATUBB1FFAR1PPARDPPARG
SCHEMBL12734430 0.90 TUBB1 (0.36) NAAATUBB1KDM1ACAMKK1CAMKK2
SCHEMBL14765707 0.90 S1PR1 (0.33) NAAATUBB1FFAR1PPARDPPARG
SCHEMBL12734450 0.89 TUBB1 (0.35) NAAATUBB1KDM1ACAMKK1CAMKK2
SCHEMBL12734434 0.89 TUBB1 (0.35) NAAATUBB1KDM1ACAMKK1CAMKK2
SCHEMBL12734445 0.88 TUBB1 (0.35) NAAATUBB1KDM1ACAMKK1CAMKK2

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed