SCHEMBL8937962

SCHEMBL8937962

O=C(Oc1ccccc1)c1sc(-c2ccccc2)c(-c2ccccc2)c1C(=O)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.52
GRM6 O15303 4/20 0.47
NSD2 O96028 1/20 0.41
HPGD P15428 3/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 6/20 0.38
PTK2B Q14289 1/20 0.38
GRM5 P41594 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX5 P09917 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
ALDH1A1 P00352 2/20 0.36
PTPRC P08575 1/20 0.36
PTPN2 P17706 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
SCHEMBL11592839 0.78 HPGD (0.50) PTGS2NSD2HPGDALOX15HSD17B10
SCHEMBL9018543 0.74 GRM6 (0.47) GRM6MAPTKDM4ETP53MDM2
Bicarbonate SCHEMBL8752125 0.68 MAPT (0.48) PTGS2GRM6HPGDHSD17B10L3MBTL1
SCHEMBL23433030 0.68 PTGS2 (0.41) PTGS2NSD2HPGDALOX15HSD17B10
SCHEMBL29112694 0.68 HSD17B10 (0.47) PTGS2NSD2HPGDALOX15HSD17B10
SCHEMBL25379563 0.67 HPGD (0.53) PTGS2NSD2HPGDALOX15HSD17B10
SCHEMBL25378085 0.67 HPGD (0.53) PTGS2NSD2HPGDALOX15HSD17B10
SCHEMBL25433546 0.67 HPGD (0.53) PTGS2NSD2HPGDALOX15HSD17B10
SCHEMBL31149856 0.67 HPGD (0.53) PTGS2NSD2HPGDALOX15HSD17B10
SCHEMBL50363 0.67 MAPT (0.56) PTGS2HPGDALOX15HSD17B10MAPT

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
US-5549965-A MOLECULAR WEIGHT CONTROLLED BY NON-STOICHIOMETRIC ADDITION OF MONOMER UNITS; ENDS BLOCKED HOECHST AKTIENGESELLSCHAFT (DE) 1996-08-27 US disclosed
US-5422397-A Molding materials, solvent resistance HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-06 US disclosed
US-5393601-A Aromatic polyamide fibers; high strength filters, reinforcing materials HOECHST AKTIENGESELLSCHAFT (DE) 1995-02-28 US disclosed