SCHEMBL10679352

SCHEMBL10679352

C=CC(=O)CCCC1=C(C)CCCC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.47
RARG P13631 2/20 0.47
RARA P10276 1/20 0.47
RXRA P19793 1/20 0.47
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HAO1 Q9UJM8 1/20 0.40
CYP1A2 P05177 1/20 0.39
TRPA1 O75762 5/20 0.39
ALOX5 P09917 1/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.35
ACE2 Q9BYF1 3/20 0.35
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
PLA2G1B P04054 1/20 0.34

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
SCHEMBL10687112 0.94 RARB (0.46) RARBRARGRARARXRAALDH1A1
SCHEMBL10691667 0.91 RARB (0.38) RARBRARGRARARXRAALDH1A1
SCHEMBL757405 0.91 RARB (0.52) RARBRARGRARARXRAALDH1A1
SCHEMBL3839248 0.82 HAO1 (0.43) RARBRARGRARARXRAALDH1A1
SCHEMBL14157557 0.77 RARB (0.49) RARBRARGRARARXRAALDH1A1
SCHEMBL15082362 0.77 RARB (0.49) RARBRARGRARARXRAALDH1A1
SCHEMBL15266487 0.75 RARB (0.56) RARBRARGRARARXRAALDH1A1
SCHEMBL441670 0.75 RARB (0.56) RARBRARGRARARXRAALDH1A1
SCHEMBL3156466 0.74 RARB (0.43) RARBRARGRARARXRAALDH1A1
SCHEMBL7650224 0.74 ALDH1A1 (0.44) RARBRARGRARARXRAALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0270124-A2 Cycloalkane derivatives and anti-peptic ulcer compositions containing same THE GREEN CROSS CORPORATION (JP) 1988-06-08 EP disclosed