SCHEMBL8735211

SCHEMBL8735211

C=C(C)C(=O)OC(C)NC(=O)Nc1ccccc1C(NC(=O)Nc1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
CNR1 P21554 2/20 0.43
CA12 O43570 5/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 5/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KLK7 P49862 1/20 0.39
NPY5R Q15761 1/20 0.38
EPHX2 P34913 1/20 0.38
MTOR P42345 1/20 0.37
MAPK1 P28482 1/20 0.37
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL12310351 0.85 HSD17B10 (0.53) HSD17B10CNR1MEN1KMT2ANPY5R
SCHEMBL8735219 0.81 L3MBTL1 (0.44) HSD17B10MEN1KMT2AEPHX2
SCHEMBL17284155 0.74 MEN1 (0.45) HSD17B10CA12CA1CA2CA9
SCHEMBL28804381 0.72 ALDH1A1 (0.50) HSD17B10CA12CA1CA2CA9
SCHEMBL8735991 0.72 CNR1 (0.43) HSD17B10CNR1CA12CA1CA2
SCHEMBL305727 0.69 ALDH1A1 (0.45) HSD17B10CA12CA9MEN1KMT2A
SCHEMBL1326464 0.69 NLRP3 (0.39) KMT2A
SCHEMBL28964245 0.67 TSHR (0.46) MEN1KMT2AEPHX2
SCHEMBL2951343 0.66 NAPRT (0.44) HSD17B10MEN1KMT2AKLK7
SCHEMBL7242603 0.66 HSD17B10 (0.66) HSD17B10CNR1MEN1KMT2AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714417-B1 POLYMER SURFACE COATINGS BIOCOMPATIBLES LTD (GB) 1998-06-10 EP claimed
WO-1995005408-A1 POLYMER SURFACE COATINGS BIOCOMPATIBLES LIMITED (GB) 1995-02-23 WO claimed
EP-0714417-B1 POLYMER SURFACE COATINGS BIOCOMPATIBLES LTD (GB) 1998-06-10 EP disclosed
EP-0714417-A1 POLYMER SURFACE COATINGS BIOCOMPATIBLES LIMITED (GB) 1996-06-05 EP disclosed
WO-1995005408-A1 POLYMER SURFACE COATINGS BIOCOMPATIBLES LIMITED (GB) 1995-02-23 WO disclosed