SCHEMBL8528987

SCHEMBL8528987

O=C(O)COc1ccc(OCC(=O)O)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.55
PTPN7 P35236 1/20 0.54
ALOX15 P16050 2/20 0.50
TSHR P16473 2/20 0.50
PKM P14618 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MCL1 Q07820 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 1/20 0.47
PPARD Q03181 2/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4147094 0.88 KDM4E (0.59) PTGDR2HSD17B10LMNAALDH1A1PPARD
SCHEMBL809926 0.88 ALDH1A1 (0.50) PTGDR2PTPN7ALOX15TSHRHSD17B10
SCHEMBL8528993 0.85 PTPN7 (0.58) PTPN7ALOX15TSHRHSD17B10MCL1
SCHEMBL13418164 0.83 PTGDR2 (0.47) PTGDR2PTPN7TSHRMCL1LMNA
SCHEMBL3044855 0.82 PTGDR2 (0.79) PTGDR2TSHRPKMTDP1L3MBTL1
SCHEMBL810011 0.82 CYSLTR2 (0.52) PTGDR2TSHRLMNAPPARDPPARG
SCHEMBL809913 0.81 HTT (0.46) PTGDR2PTPN7ALOX15TSHRHSD17B10
SCHEMBL13616955 0.81 PTGDR2 (0.54) PTGDR2TSHRPKMTDP1MAPT
SCHEMBL4143335 0.81 TDP1 (0.70) PTGDR2TSHRTDP1MAPT
SCHEMBL4138843 0.81 PKM (0.71) PTGDR2PKMTDP1L3MBTL1

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-0603731-B1 Purification of liquid crystals and liquid crystal composition HITACHI CHEMICAL CO LTD (JP) 1998-03-11 EP disclosed
US-5540857-A Purification of liquid crystals and liquid crystal composition HITACHI CHEMICAL CO., LTD. (JP) 1996-07-30 US disclosed
US-5422034-A Treating with porous polyimide particles; high voltage retention and high display properties HITACHI CHEMICAL COMPANY, LTD. (JP) 1995-06-06 US disclosed
EP-0603731-A1 Purification of liquid crystals and liquid crystal composition HITACHI CHEMICAL COMPANY, LTD. (JP) 1994-06-29 EP disclosed
US-4791157-A REACTING TRIMELLITIC ACID WITH AROMATIC DIAMINE WITH ETHER GROUPS HITACHI CHEMICAL CO. (JP) 1988-12-13 US disclosed