SCHEMBL21242380

SCHEMBL21242380

c1ccc(-c2cc(-c3ccccc3)c(OCn3cccc3)c(-c3ccccc3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
PTPN1 P18031 1/20 0.34
GSTP1 P09211 1/20 0.34
IKBKB O14920 1/20 0.34
BACE1 P56817 2/20 0.33
HTR7 P34969 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
SLC6A9 P48067 1/20 0.31
USP7 Q93009 1/20 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
SCHEMBL21242381 0.87 PTGDR2 (0.40) RAB9ANPC1MAPTL3MBTL1CYP11B1
SCHEMBL25913665 0.83 LTA4H (0.37) RAB9ANPC1GSTP1IKBKBBACE1
SCHEMBL19976280 0.77 PTGS1 (0.39) PTGS1MAPTPTPN1GSTP1IKBKB
SCHEMBL5988287 0.70 PTPN1 (0.55) PTGS1PTPN1KMT2A
SCHEMBL6003334 0.69 KCNA3 (0.48) MEN1KMT2AALDH1A1MAPK1
SCHEMBL29065606 0.67 PTPN1 (0.41) PTGS1RAB9ANPC1MAPTL3MBTL1
SCHEMBL27862699 0.67 PTPN1 (0.41) PTGS1RAB9ANPC1MAPTL3MBTL1
SCHEMBL2096573 0.67 PDE4B (0.55) RAB9ANPC1MAPTPTPN1IKBKB
SCHEMBL2096572 0.67 PTPN1 (0.41) PTGS1RAB9ANPC1MAPTL3MBTL1
SCHEMBL27831222 0.67 TDP1 (0.54) MAPTPTPN1MEN1KMT2AALDH1A1

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-3662996-A2 MOLYBDENUM AND TUNGSTEN COMPLEXES AS OLEFIN METATHESIS CATALYSTS AND REACTIONS USING THE CATALYSTS Verbio Vereinigte BioEnergie AG (DE) 2020-06-10 EP disclosed
EP-2703081-B1 MOLYBDENUM AND TUNGSTEN COMPLEXES AS OLEFIN METATHESIS CATALYSTS AND REACTIONS USING THE CATALYSTS XIMO AG (CH) 2019-08-07 EP disclosed