SCHEMBL8474124

SCHEMBL8474124

C#CCN1C(C)(C)CC(c2ccc(OCC3CO3)cc2)CC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TSHR P16473 4/20 0.46
TP53 P04637 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HIF1A Q16665 2/20 0.46
CYP1A2 P05177 1/20 0.46
PPARG P37231 1/20 0.46
TDP1 Q9NUW8 1/20 0.41
PKM P14618 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.33
FGFR1 P11362 1/20 0.32
SRC P12931 1/20 0.32
DRD4 P21917 1/20 0.31

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
SCHEMBL3140296 0.82 ALDH1A1 (0.52) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL8473934 0.76 ALDH1A1 (0.54) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL3134474 0.71 ALDH1A1 (0.51) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL2717675 0.71 TDP1 (0.61) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL23071545 0.71 ALDH1A1 (0.51) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL19051174 0.70 TDP1 (0.59) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL21094081 0.69 TDP1 (0.79) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL20677146 0.69 TDP1 (0.79) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL50264 0.69 TDP1 (0.79) ALDH1A1TSHRTP53MAPTHPGD
SCHEMBL3144279 0.69 TDP1 (0.58) ALDH1A1TSHRTP53MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998518-A HEAT, OXIDATION AND LIGHT STABILIZER CIBA SPECIALTY CHEMCIALS CORPORATION (US) 1999-12-07 US disclosed
EP-0837065-A1 Phenylglycidyl ethers-HALS Ciba SC Holding AG (CH) 1998-04-22 EP disclosed