SCHEMBL8901599

SCHEMBL8901599

CCOC(=O)CC1(O)CCC(C)(C)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
SIGMAR1 Q99720 3/20 0.40
PPID Q08752 1/20 0.40
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
KCNH2 Q12809 1/20 0.36
GRIN2B Q13224 1/20 0.36
TDP2 O95551 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 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
SCHEMBL6292622 0.83 RARB (0.40) GAAKMT2ALMNATSHRMEN1
SCHEMBL6366888 0.78 GAA (0.44) GAA
SCHEMBL8635948 0.77 RARB (0.44) GAAALDH1A1KMT2ALMNAMEN1
SCHEMBL8561429 0.77 RARB (0.44) GAAALDH1A1KMT2ALMNAMEN1
SCHEMBL6298088 0.77 MAPT (0.43) GAAALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL6705228 0.77 MAPT (0.43) GAAALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL9295878 0.77 OPRM1 (0.43) ALDH1A1LMNATSHRKCNH2MAPT
SCHEMBL6293871 0.76 RARB (0.67) ALDH1A1LMNACYP1A2
SCHEMBL6293872 0.76 RARB (0.67) ALDH1A1LMNACYP1A2
SCHEMBL9058220 0.76 RARB (0.65)

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
WO-1997048672-A2 SUBSTITUTED TETRAHYDRONAPHTHALENE AND DIHYDRONAPHTHALENE DERIVATIVES HAVING RETINOID AND/OR RETINOID ANTAGONIST-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 1997-12-24 WO disclosed