SCHEMBL9525973

SCHEMBL9525973

CCCCCCCCSc1ncc(-c2ccc(OC[C@H]3COC(=O)O3)cc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 3/20 0.34
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RARB P10826 3/20 0.33
HPGD P15428 3/20 0.32
ALDH1A1 P00352 2/20 0.32
GPR84 Q9NQS5 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
FFAR1 O14842 3/20 0.32
KDM6B O15054 1/20 0.32

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
SCHEMBL9525985 1.00 PTGES (0.38) PTGESMEN1KMT2AMAPTL3MBTL1
SCHEMBL9525240 0.85 RARB (0.39) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL9525248 0.85 RARB (0.39) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL9525992 0.78 GPR84 (0.33) PTGESMEN1KMT2AMAPTL3MBTL1
SCHEMBL9528215 0.78 RARB (0.49) MEN1KMT2AMAPTL3MBTL1MAPK1
SCHEMBL9524658 0.77 ADRA1D (0.38) PTGESMEN1KMT2AMAPTL3MBTL1
SCHEMBL9524654 0.77 ADRA1D (0.38) PTGESMEN1KMT2AMAPTL3MBTL1
SCHEMBL9506292 0.77 ALDH1A1 (0.50) PTGESMAPTL3MBTL1MAPK1KDM4E
SCHEMBL9510040 0.77 ALDH1A1 (0.50) PTGESMAPTL3MBTL1MAPK1KDM4E
SCHEMBL9507596 0.77 ALDH1A1 (0.50) PTGESMAPTL3MBTL1MAPK1KDM4E

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