SCHEMBL6237235

SCHEMBL6237235

COC(=O)c1c([O])cccc1OC

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.57
CA9 Q16790 3/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA7 P43166 2/20 0.57
CA14 Q9ULX7 2/20 0.57
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
Methyl 2,6-Dimethoxybenzoate SCHEMBL2095636 0.88 CA12 (0.65) CA12CA9CA1CA2CA7
SCHEMBL1805910 0.84 CA12 (0.80) CA12CA9CA1CA2CA7
SCHEMBL1802830 0.81 CA12 (0.57) CA12CA9CA1CA2CA7
SCHEMBL7213192 0.81 CA12 (0.57) CA12CA9CA1CA2CA7
Methyl 2-Hydroxy-6-Methoxybenzoate SCHEMBL1339134 0.81 CA1 (0.77) CA12CA9CA1CA2CA7
SCHEMBL30320392 0.81 CA12 (0.57) CA12CA9CA1CA2CA7
SCHEMBL383371 0.81 CA12 (0.57) CA12CA9CA1CA2CA7
SCHEMBL14084352 0.80 LPAR1 (0.52) CA12CA9CA1CA2CA7
SCHEMBL1129317 0.79 CA12 (0.55) CA12CA9CA1CA2CA7
SCHEMBL16008472 0.79 CA12 (0.55) CA12CA9CA1CA2CA7

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-1063252-B1 FLAME-RETARDANT RESIN, COMPOSITION THEREOF, AND PROCESS FOR PRODUCING THE SAME OTSUKA KAGAKU KK (JP) 2005-06-08 EP disclosed
US-6632891-B1 Obtained by an ester exchange reaction between the flame retardant phosphazene and the polycarbonate or polyester resin OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2003-10-14 US disclosed
EP-1063252-A1 FLAME-RETARDANT RESIN, COMPOSITION THEREOF, AND PROCESS FOR PRODUCING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2000-12-27 EP disclosed