SCHEMBL8370529

SCHEMBL8370529

CCC(C)CCCc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.67
MAPT P10636 2/20 0.63
ALDH1A1 P00352 2/20 0.63
MEN1 O00255 1/20 0.63
RARA P10276 1/20 0.63
MTOR P42345 1/20 0.63
KMT2A Q03164 1/20 0.63
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
GRIN2D O15399 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL11358358 0.91 RARB (0.61) RARBMAPTALDH1A1MEN1RARA
SCHEMBL11527703 0.85 ALDH1A1 (0.55) RARBMAPTALDH1A1MEN1RARA
SCHEMBL9144768 0.85 ALDH1A1 (0.55) RARBMAPTALDH1A1MEN1RARA
SCHEMBL13548350 0.84 RARB (0.61) RARBMAPTALDH1A1MEN1RARA
SCHEMBL8926384 0.83 RARB (0.59) RARBMAPTALDH1A1MEN1RARA
SCHEMBL8839108 0.83 RARB (0.61) RARBMAPTALDH1A1MEN1RARA
SCHEMBL10774091 0.81 RARB (0.65) RARBMAPTALDH1A1MEN1RARA
SCHEMBL20821066 0.81 DPP4 (0.47) RARBPDE4APDE4BPDE4CPDE4D
SCHEMBL10654243 0.81 GRIN2D (0.64) RARBMAPTALDH1A1MEN1RARA
SCHEMBL3084046 0.81 RARB (0.56) RARBMAPTALDH1A1MEN1RARA

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-0640676-B1 Mesomorphic compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KK (JP) 1999-01-20 EP disclosed
US-5653913-A IMPROVED RESPONSE; CONTRAST CANON KABUSHIKI KAISHAI (JP) 1997-08-05 US disclosed
EP-0640676-A1 Mesomorphic compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KABUSHIKI KAISHA (JP) 1995-03-01 EP disclosed
US-4257911-A P-ALKYLOXYPHENYL ESTERS OF 4-BRANCHING ALKYL BIPHENYL-4'-CARBOXYLIC ACID; EUTECTIC MIXTURES HAVING CHOLESTIC PHASES AT LOWER TEMPERATURES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1981-03-24 US disclosed
US-4149413-A THERMOCHROMIC THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHER IRELAND (GB) 1979-04-17 US disclosed