SCHEMBL8770703

SCHEMBL8770703

C=CCC(=O)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.63
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HSD17B10 Q99714 1/20 0.47
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
PKM P14618 1/20 0.44
ELANE P08246 1/20 0.44
KMT2A Q03164 2/20 0.43
ESR1 P03372 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
TP53 P04637 2/20 0.43
TSHR P16473 2/20 0.43
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 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
Hydrochloric Acid SCHEMBL9243417 0.98 HTT (0.61) HTTALDH1A1L3MBTL1HSD17B10PARP15
SCHEMBL8518197 0.95 HTT (0.58) HTTALDH1A1L3MBTL1HSD17B10PARP15
SCHEMBL8861877 0.94 HTT (0.57) HTTALDH1A1L3MBTL1HSD17B10PARP15
Hydrochloric Acid SCHEMBL8517634 0.94 HTT (0.57) HTTALDH1A1L3MBTL1HSD17B10PARP15
Hydrochloric Acid SCHEMBL8861930 0.92 HTT (0.56) HTTALDH1A1L3MBTL1HSD17B10PARP15
SCHEMBL9276425 0.85 HTT (0.56) HTTALDH1A1L3MBTL1HSD17B10PKM
Hydrochloric Acid SCHEMBL9346217 0.84 HTT (0.55) HTTALDH1A1L3MBTL1HSD17B10PKM
SCHEMBL9243414 0.84 HTT (0.47) HTTALDH1A1L3MBTL1HSD17B10PARP15
SCHEMBL163578 0.83 ALDH1A1 (0.50) HTTALDH1A1L3MBTL1HSD17B10ELANE
SCHEMBL9005809 0.82 HTT (0.52) HTTALDH1A1L3MBTL1HSD17B10PKM

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9268157-A None JP disclosed
JP-8268970-A None JP disclosed
JP-H09268157-A ANTIFERROELECTRIC LIQUID CRYSTAL COMPOUND NIPPON SOKEN INC 1997-10-14 JP disclosed
EP-0566380-B1 Carboxylic acid ester compound, liquid crystal material, liquid crystal compositions and liquid crystal element MITSUI PETROCHEMICAL IND (JP) 1997-08-06 EP disclosed
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
JP-H08268970-A ANTIFERRODIELECTRIC LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME SHOWA SHELL SEKIYU KK 1996-10-15 JP disclosed
US-5433887-A Liquid crystal compounds SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) 1995-07-18 US disclosed
EP-0422996-B1 Liquid crystal compound SHOWA SHELL SEKIYU (JP) 1995-04-12 EP disclosed
EP-0468882-B1 Liquid crystal compound SHOWA SHELL SEKIYU (JP) 1995-02-22 EP disclosed
US-5385693-A Having rapid response and low phase transition temperature SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
US-5124070-A High speed response SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-23 US disclosed
US-5100579-A POLYPHENYL-BASED ESTER COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING SAME AJINOMOTO CO., INC. (JP) 1992-03-31 US disclosed
EP-0468882-A1 Liquid crystal compound Showa Shell Sekiyu Kabushiki Kaisha (JP) 1992-01-29 EP disclosed
EP-0191600-B1 POLYPHENYL-BASED ESTER COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING SAME AJINOMOTO CO., INC. (JP) 1991-12-27 EP 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
EP-0422996-A2 Liquid crystal compound Showa Shell Sekiyu Kabushiki Kaisha (JP) 1991-04-17 EP disclosed
US-4911861-A Mixture of at least two components AJINOMOTO CO., INC. (JP) 1990-03-27 US disclosed
EP-0357435-A2 Optically active aromatic compounds, preparation process therefor, liquid crystal materials and a light switching element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-03-07 EP disclosed
US-4728458-A FERROELECTRIC AJINOMOTO CO., LTD. (JP) 1988-03-01 US disclosed
EP-0191600-A2 Polyphenyl-based ester compounds and liquid crystal compositions containing same AJINOMOTO CO., INC. (JP) 1986-08-20 EP disclosed