SCHEMBL4861841

SCHEMBL4861841

CCOc1ccc(C2CCC(C3CCC4(CC3)OCCO4)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
PDE10A Q9Y233 9/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TRPV3 Q8NET8 1/20 0.32
KDM1A O60341 2/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 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
SCHEMBL1243985 0.92 PDE10A (0.38) ALDH1A1PDE10ALMNATSHRMEN1
SCHEMBL14922515 0.91 GPR119 (0.34) ALDH1A1PDE10ATSHR
SCHEMBL2883439 0.91 ALDH1A1 (0.33) ALDH1A1PDE10ALMNATSHRMEN1
SCHEMBL2509026 0.88 PDE10A (0.38) ALDH1A1PDE10ALMNATSHRMEN1
SCHEMBL26209540 0.85 KDM1A (0.38) ALDH1A1LMNATSHRHTTHSD17B10
SCHEMBL26209563 0.85 KDM1A (0.38) ALDH1A1LMNATSHRHTTHSD17B10
SCHEMBL17827785 0.85 KDM1A (0.38) ALDH1A1LMNATSHRHTTHSD17B10
SCHEMBL17827780 0.85 KDM1A (0.38) ALDH1A1LMNATSHRHTTHSD17B10
SCHEMBL14389835 0.85 LMNA (0.33) ALDH1A1PDE10ALMNATSHRMEN1
SCHEMBL18712354 0.85 SCN9A (0.33) ALDH1A1HTTKDM1ACHRM4CHRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580146-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
EP-1852429-B1 Hexahydro dibenzofuran derivatives MERCK PATENT GMBH (DE) 2010-09-15 EP disclosed
US-7417157-B2 Hexahydrodibenzofuran derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-08-26 US disclosed