SCHEMBL8408017

SCHEMBL8408017

Cc1cc(O)c(C(C)(C)C)cc1CN(CCCO)CCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MAPK1 P28482 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 3/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 5/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 3/20 0.40
ATP2A2 P16615 1/20 0.40
ATP2A3 Q93084 1/20 0.40
CYP2C9 P11712 5/20 0.39
CYP2C19 P33261 4/20 0.39
CYP2D6 P10635 3/20 0.39
HSD17B10 Q99714 2/20 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
SCHEMBL8410753 0.96 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL8407649 0.91 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL8409728 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL8410735 0.77 HSPA5 (0.57) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL4066413 0.76 ALOX15 (0.54) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL8411257 0.75 CYP2C19 (0.50) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL8410609 0.75 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL2163484 0.74 ALOX15 (0.52) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL5073267 0.74 ALOX15 (0.52) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL30471645 0.74 ALOX15 (0.52) ALDH1A1SMN1; SMN2MAPK1KDM4EMAPT

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-5874494-A DETERIORATION STABILIZER FOR THERMOPLASTIC RESIN; OXIDATION RESISTANCE, DISCOLORATION INHIBITION, HEAT RESISTANCE, CROSSLINKING INHIBITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed