SCHEMBL9005809

SCHEMBL9005809

C=CCC(=O)Oc1cnc(-c2ccc(C(=O)O)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RARB P10826 4/20 0.43
HCAR3 P49019 1/20 0.40
HSD17B10 Q99714 1/20 0.39
CSNK2A1 P68400 2/20 0.38
CSNK2A2 P19784 1/20 0.38
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 1/20 0.36
MAP4K4 O95819 1/20 0.36
CHEK1 O14757 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 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
SCHEMBL8943415 0.87 NPC1 (0.45) HTTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL8518197 0.84 HTT (0.58) HTTALDH1A1L3MBTL1RARBHSD17B10
Hydrochloric Acid SCHEMBL8517634 0.82 HTT (0.57) HTTALDH1A1L3MBTL1RARBHSD17B10
SCHEMBL8770703 0.82 HTT (0.63) HTTALDH1A1L3MBTL1HSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL9243417 0.81 HTT (0.61) HTTALDH1A1L3MBTL1HSD17B10SMN1; SMN2
SCHEMBL6673551 0.80 HTT (0.39) HTTALDH1A1L3MBTL1RARBPDE4B
SCHEMBL8861877 0.77 HTT (0.57) HTTALDH1A1L3MBTL1HSD17B10RAB9A
SCHEMBL9501910 0.76 SMN1; SMN2 (0.38) HTTALDH1A1L3MBTL1HSD17B10PDE4B
Hydrochloric Acid SCHEMBL8861930 0.75 HTT (0.56) HTTALDH1A1L3MBTL1HSD17B10RAB9A
SCHEMBL8586984 0.75 RARB (0.55) ALDH1A1L3MBTL1RARBHCAR3CSNK2A1

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-0434297-B1 Optically active aromatic compounds, preparation process thereof, and liquid crystal compositions and elements SUMITOMO CHEMICAL CO (JP) 1996-10-16 EP disclosed
US-5238598-A Having trifluoromethyl group; high speed response SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-08-24 US disclosed
EP-0434297-A2 Optically active aromatic compounds, preparation process thereof, and liquid crystal compositions and elements SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-06-26 EP disclosed