SCHEMBL7778466

SCHEMBL7778466

C=CCc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.51
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
RARA P10276 1/20 0.49
MTOR P42345 1/20 0.49
KMT2A Q03164 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
SRD5A2 P31213 1/20 0.49
BCL2L1 Q07817 1/20 0.48
BAD Q92934 1/20 0.48
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
TP53 P04637 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
Hydrochloric Acid SCHEMBL7777364 0.98 RARB (0.50) RARBALDH1A1MAPTMEN1RARA
Hydrochloric Acid SCHEMBL9332412 0.98 RARB (0.50) RARBALDH1A1MAPTMEN1RARA
SCHEMBL714706 0.94 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ASRD5A2
Hydrochloric Acid SCHEMBL8520157 0.92 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ASRD5A2
SCHEMBL14691493 0.92 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ASRD5A2
Bicarbonate SCHEMBL9222817 0.92 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ASRD5A2
SCHEMBL11568621 0.89 SRD5A2 (0.58) ALDH1A1MAPTSRD5A2TP53TSHR
Chavicol SCHEMBL11555429 0.87 CA2 (0.59) ALDH1A1MAPTMEN1KMT2ASRD5A2
SCHEMBL9420294 0.86 CYP1A2 (0.44) RARBALDH1A1MAPTMEN1KMT2A
SCHEMBL7777353 0.83 CYP1A2 (0.41) RARBALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311692-B1 NOVEL ALKANOYL ESTER COMPOUNDS, INTERMEDIATES THEREFOR, AND PROCESSES FOR THEIR PREPARATION NIPPON MINING COMPANY LIMITED (JP) 1992-07-08 EP claimed
EP-0311692-A1 NOVEL ALKANOYL ESTER COMPOUNDS, INTERMEDIATES THEREFOR, AND PROCESSES FOR THEIR PREPARATION NIPPON MINING COMPANY LIMITED (JP) 1989-04-19 EP claimed
JP-11335332-A None JP disclosed
JP-52068156-A None JP disclosed
JP-52068155-A None JP disclosed
JP-57011944-A None JP disclosed
JP-4295446-A None JP disclosed
JP-4312546-A None JP disclosed
JP-56075469-A None JP disclosed
JP-56065845-A None JP disclosed
JP-51122045-A None JP disclosed
US-4424371-A LIQUID CRYSTALS TIMEX CORPORATION (US) 1984-01-03 US disclosed
JP-S5711944-A OPTICALLY ACTIVE ESTER CHISSO CORP 1982-01-21 JP disclosed
US-4279770-A Liquid crystal 2,3-dicyano-hydroquinone derivatives CHISSO CORPORATION (JP) 1981-07-21 US disclosed
JP-S5675469-A ORGANIC COMPOUND SEIKO EPSON CORP 1981-06-22 JP disclosed
JP-S5665845-A LIQUID CRYSTAL ESTER COMPOUND SEIKO EPSON CORP 1981-06-03 JP disclosed
JP-S5268156-A PREPARATION OF 4'-ALKYL-4-BIPHENYLCARBOXYLIC ACID P-CYANOPHENYLESTER CHISSO CORP 1977-06-06 JP disclosed
JP-S5268155-A PREPARATION OF 4'-ALKYL-4-BIPHENYLCARBONITRILE CHISSO CORP 1977-06-06 JP disclosed
US-4017416-A P-cyanophenyl 4-alkyl-4'-biphenylcarboxylate, method for preparing same and liquid crystal compositions using same CHISSO CORPORATION (JA) 1977-04-12 US disclosed
JP-S51122045-A PROCESS FOR PREPARATION OF 4'-ALKYL-4- BIPHENYLCARBOXYLIC ACID AND ITS DERIVATIVES CHISSO CORP 1976-10-25 JP disclosed