SCHEMBL8916677

SCHEMBL8916677

CCCCCCCCSc1ncc(-c2ccc(C(OC(c3ccc(-c4cnc(SCCCCCCCC)nc4)cc3)C3COC4(CCCCC4)O3)C3COC4(CCCCC4)O3)cc2)cn1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGES O14684 2/20 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
SCHEMBL8916664 1.00 KDM4E (0.31) KDM4EMEN1GAATSHRHTT
SCHEMBL8917609 0.86
SCHEMBL8917939 0.86 ADRA1D (0.31)
SCHEMBL8917931 0.86 ADRA1D (0.31)
SCHEMBL8917599 0.86
SCHEMBL9524654 0.80 ADRA1D (0.38) KDM4EMEN1GAATSHRHTT
SCHEMBL9524658 0.80 ADRA1D (0.38) KDM4EMEN1GAATSHRHTT
SCHEMBL9525992 0.78 GPR84 (0.33) KDM4EMEN1GAATSHRHTT
SCHEMBL8876108 0.77 PTGES (0.33) KDM4EMEN1GAATSHRHTT
SCHEMBL8876114 0.77 PTGES (0.33) KDM4EMEN1GAATSHRHTT

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-5651918-A Optically active 1,3-dioxolane derivatives carrying a mesogenic radical in the 4-position, a process for their preparation and their use as doping agents in liquid-crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1997-07-29 US disclosed