SCHEMBL6935260

SCHEMBL6935260

O=C(O)c1ccc(O)cc1-c1cccc2c(-c3cc(O)ccc3C(=O)O)cccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA9 Q16790 3/20 0.53
CA7 P43166 2/20 0.53
CA14 Q9ULX7 2/20 0.53
TSHR P16473 2/20 0.53
ALDH1A1 P00352 1/20 0.53
ALOX5 P09917 1/20 0.48
PTGS2 P35354 1/20 0.48
LMNA P02545 1/20 0.47
HSD17B10 Q99714 2/20 0.47
TYMS P04818 1/20 0.46
GFER P55789 1/20 0.45
MCL1 Q07820 1/20 0.45
ACMSD Q8TDX5 1/20 0.45
CA6 P23280 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
LDHA P00338 1/20 0.43

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
SCHEMBL6937705 0.92 CA12 (0.53) CA12CA1CA2CA9CA7
SCHEMBL8851047 0.92 MCL1 (0.57) CA12CA1CA2CA9CA7
SCHEMBL2963677 0.82 SOS1 (0.47) CA12CA1CA2CA9CA7
SCHEMBL21694758 0.81 CA12 (0.53) CA12CA1CA2CA9CA7
SCHEMBL9139879 0.80 MCL1 (0.55) CA12CA1CA2CA9CA7
SCHEMBL5443143 0.80 ALDH1A1 (0.50) CA12CA1CA2CA9CA7
SCHEMBL11192602 0.79 CA12 (0.52) CA12CA1CA2CA9CA7
SCHEMBL25148825 0.79 BCAT2 (0.53) CA12CA1CA2CA9CA7
SCHEMBL3040769 0.78 HSD17B10 (0.58) CA12CA1CA2CA9CA7
SCHEMBL2785635 0.78 HSD17B10 (0.68) CA12CA1CA2CA9CA7

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-1016659-B1 Bismaleimides comprising mesogenic groups and oligomeric liquid crystalline bismaleimides DAINIPPON INK & CHEMICALS (JP) 2003-09-24 EP disclosed
US-6169186-B1 LIQUID CRYSTALS AND LIQUID CRYSTALLINE POLYMERS DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-01-02 US disclosed
EP-1016659-A1 Bismaleimides comprising mesogenic groups and oligomeric liquid crystalline bismaleimides DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-07-05 EP disclosed