SCHEMBL14765987

SCHEMBL14765987

C=CCCOc1ccc(C2CCC(C(=O)Oc3ccc(C4CCC(OCC)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.36
KDM1A O60341 2/20 0.32
HCRTR2 O43614 5/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
TPH1 P17752 1/20 0.32
SCN9A Q15858 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
IDH1 O75874 1/20 0.30
ACACB O00763 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
SCHEMBL14766197 0.94 SCN9A (0.36) HPGDKDM1AHCRTR2TPH1SCN9A
SCHEMBL14766343 0.92 HPGD (0.37) HPGDKDM1AHCRTR2POLBTSHR
SCHEMBL12737206 0.92 HPGD (0.35) HPGDKDM1APOLBTSHRMAPK1
SCHEMBL14766346 0.92 HPGD (0.35) HPGDKDM1AHCRTR2POLBTSHR
SCHEMBL14766757 0.91 HPGD (0.37) HPGDHCRTR2SCN9AACACB
SCHEMBL14766729 0.91 HPGD (0.37) HPGDHCRTR2SCN9AACACB
SCHEMBL14766419 0.90 HPGD (0.42) HPGDKDM1AHCRTR2TPH1PDE4A
SCHEMBL14765683 0.90 KDM1A (0.39) HPGDKDM1AHCRTR2TPH1SCN9A
SCHEMBL14767307 0.90 HPGD (0.34) HPGDHCRTR2POLBTSHRMAPK1
SCHEMBL12822311 0.89 HPGD (0.33) HPGDPOLBTSHRMAPK1TPH1

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