SCHEMBL9525992

SCHEMBL9525992

CCCCCCCCSc1ncc(-c2ccc([C@H](O[C@@H](c3ccc(-c4cnc(SCCCCCCCC)nc4)cc3)C3COC(=O)O3)C3COC(=O)O3)cc2)cn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM6B O15054 2/20 0.33
KDM4A O75164 2/20 0.33
KDM4D Q6B0I6 2/20 0.33
KDM3B Q7LBC6 2/20 0.33
HIF1AN Q9NWT6 2/20 0.33
KDM5B Q9UGL1 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
PTGES O14684 2/20 0.32
MAPT P10636 1/20 0.30
NPC1 O15118 1/20 0.30
NFKB1 P19838 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
SCHEMBL9525256 0.85 GCGR (0.33) MEN1KMT2A
SCHEMBL9528232 0.78 RARB (0.47) KDM4EMEN1GAAKMT2AHSD17B10
SCHEMBL9525985 0.78 PTGES (0.38) GPR84KDM4EMEN1GAATSHR
SCHEMBL9525973 0.78 PTGES (0.38) GPR84KDM4EMEN1GAATSHR
SCHEMBL8916664 0.78 KDM4E (0.31) KDM4EMEN1GAATSHRHTT
SCHEMBL8916677 0.78 KDM4E (0.31) KDM4EMEN1GAATSHRHTT
SCHEMBL9506321 0.68 ALDH1A1 (0.50) KDM4ETSHRHTTHSD17B10L3MBTL1
SCHEMBL9506292 0.68 ALDH1A1 (0.50) KDM4ETSHRHTTHSD17B10L3MBTL1
SCHEMBL9506138 0.68 ALDH1A1 (0.50) KDM4ETSHRHTTHSD17B10L3MBTL1
SCHEMBL9510040 0.68 ALDH1A1 (0.50) KDM4ETSHRHTTHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351746-B1 Optically active 1,3-dioxolane derivatives containing a mesogene group in position 4, method for their preparation and their use as doping agents in liquid-crystal mixtures HOECHST AG (DE) 1993-12-29 EP disclosed
EP-0351746-A1 Optically active 1,3-dioxolane derivatives containing a mesogene group in position 4, method for their preparation and their use as doping agents in liquid-crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-24 EP disclosed