SCHEMBL8975623

SCHEMBL8975623

COC1CCC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(OC)CCC2(C)C)=C1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
ALDH1A1 P00352 7/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 2/20 0.56
TSHR P16473 2/20 0.56
HIF1A Q16665 2/20 0.56
GMNN O75496 2/20 0.56
PMP22 Q01453 2/20 0.56
APEX1 P27695 1/20 0.56
PTGS1 P23219 4/20 0.54
DRD3 P35462 2/20 0.54
SLCO1B3 Q9NPD5 1/20 0.54
SLCO1B1 Q9Y6L6 1/20 0.54
ALOX15 P16050 2/20 0.52
APP P05067 3/20 0.51
SNCA P37840 3/20 0.51
CYP26A1 O43174 3/20 0.48
CYP3A4 P08684 3/20 0.47
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL5905844 0.91 ALDH1A1 (0.60) MAPTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL5905842 0.91 ALDH1A1 (0.60) MAPTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL1498298 0.83 MAPT (0.79) MAPTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL13409434 0.80 ALDH1A1 (0.55) MAPTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL4389193 0.79 ALDH1A1 (0.74) MAPTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL5077672 0.79 ALDH1A1 (0.74) MAPTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL8571918 0.79 MAPT (0.52) MAPTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL8596761 0.79 MAPT (0.52) MAPTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL13252668 0.78 MAPT (0.75) MAPTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL1717617 0.78 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2LMNATSHR

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
US-5536504-A Ultramicroemulsions from spontaneously dispersible concentrates containing xanthophyll esters and having antitumor activity MARIGEN S.A. (CH) 1996-07-16 US disclosed