SCHEMBL7086159

SCHEMBL7086159

C=CCc1cc(N)c(OC(=O)O)s1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS1 P23219 1/20 0.33
ELANE P08246 1/20 0.30
ALOX15 P16050 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
SCHEMBL6176763 0.71 ALDH1A1 (0.40) MEN1KMT2AALOX15
SCHEMBL5889044 0.62 DAO (0.32)
SCHEMBL4680572 0.61 IKBKB (0.59) MEN1CYP3A4KMT2ATDP1L3MBTL1
SCHEMBL11034047 0.61 PTGDR (0.31)
SCHEMBL28205570 0.60
SCHEMBL4970408 0.60 DAO (0.45) MEN1KMT2A
SCHEMBL985212 0.59 L3MBTL1 (0.54) MEN1CYP3A4KMT2ATDP1L3MBTL1
SCHEMBL5026014 0.59 PTGDR (0.34) ALOX15
SCHEMBL1310694 0.59 NPSR1 (0.49) MEN1CYP3A4KMT2ATDP1L3MBTL1
SCHEMBL11151820 0.59 KDM4E (0.38) MEN1KMT2ATDP1L3MBTL1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214316-B1 FIVE MEMBERED-RING COMPOUNDS AND UTILIZATION THEREOF IN LIQUID CRYSTAL MIXTURES CLARIANT INT LTD (CH) 2003-05-07 EP disclosed
EP-1214316-A1 FIVE MEMBERED-RING COMPOUNDS AND UTILIZATION THEREOF IN LIQUID CRYSTAL MIXTURES CLARIANT INTERNATIONAL LTD. (CH) 2002-06-19 EP disclosed
WO-2001016131-A2 FIVE MEMBERED-RING COMPOUNDS AND UTILIZATION THEREOF IN LIQUID CRYSTAL MIXTURES CLARIANT INTERNATIONAL LTD (CH) 2001-03-08 WO disclosed