SCHEMBL14766513

SCHEMBL14766513

C=CCOc1ccc(-c2ccc(COc3ccc(-c4ccc(OCC)cc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
MGAM O43451 3/20 0.38
GAA P10253 3/20 0.38
SI P14410 3/20 0.38
MGAM2 Q2M2H8 3/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BCHE P06276 1/20 0.37
FFAR1 O14842 3/20 0.35
PPARD Q03181 2/20 0.35
GYS1 P13807 1/20 0.35
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35

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
SCHEMBL14767073 1.00 LMNA (0.40) LMNAALDH1A1MEN1CYP2D6KMT2A
SCHEMBL14765867 0.92 FFAR1 (0.44) LMNAALDH1A1MEN1CYP2D6KMT2A
SCHEMBL14766359 0.91 FFAR1 (0.40) LMNAALDH1A1MEN1CYP2D6KMT2A
SCHEMBL14767076 0.90 FFAR1 (0.48) LMNAALDH1A1MEN1CYP2D6KMT2A
SCHEMBL14767096 0.90 FFAR1 (0.45) LMNAALDH1A1MEN1CYP2D6KMT2A
SCHEMBL14766680 0.89 FFAR1 (0.48) LMNAALDH1A1MEN1CYP2D6KMT2A
SCHEMBL14767064 0.88 NQO1 (0.41) LMNAALDH1A1CYP2D6NPC1MAPT
SCHEMBL14766357 0.88 NQO1 (0.41) LMNAALDH1A1CYP2D6NPC1MAPT
SCHEMBL14765879 0.88 CNR2 (0.37) LMNAALDH1A1CYP2D6GAANPC1
SCHEMBL14767195 0.88 CNR2 (0.37) LMNAALDH1A1CYP2D6GAANPC1

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