SCHEMBL14766980

SCHEMBL14766980

C=CCOc1ccc(OC(=O)C2CCC(c3ccc(C4CCC(OCC)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 4/20 0.36
MTNR1A P48039 2/20 0.35
HCRTR2 O43614 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PPARD Q03181 2/20 0.31
FFAR1 O14842 1/20 0.31
KAT6A Q92794 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL14766769 0.95 HPGD (0.35) POLBTSHRMAPK1HPGDMTNR1A
SCHEMBL14767260 0.93 POLB (0.35) POLBTSHRMAPK1HPGDMTNR1A
SCHEMBL14767172 0.91 HPGD (0.35) POLBTSHRMAPK1HPGDHCRTR2
SCHEMBL14767305 0.91 HPGD (0.39) HPGDMTNR1AHCRTR2PPARDFFAR1
SCHEMBL12742206 0.90 POLB (0.40) POLBTSHRMAPK1HPGDMTNR1A
SCHEMBL14767258 0.89 HPGD (0.37) POLBTSHRMAPK1HPGDHCRTR2
SCHEMBL14766329 0.89 HPGD (0.37) POLBTSHRMAPK1HPGDHCRTR2
SCHEMBL14766343 0.88 HPGD (0.37) POLBTSHRMAPK1HPGDHCRTR2
SCHEMBL14767156 0.87 FFAR1 (0.37) POLBTSHRMAPK1HPGDMTNR1A
SCHEMBL14766421 0.87 HPGD (0.35) HPGDHCRTR2PPARDSCN9A

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