SCHEMBL8487441

SCHEMBL8487441

CC(C)(C)c1cc(CCC2=NCCO2)cc(C(C)(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
GAA P10253 6/20 0.45
TSHR P16473 4/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 5/20 0.41
MAPT P10636 4/20 0.41
MAPK1 P28482 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
BLM P54132 2/20 0.41
ATM Q13315 2/20 0.41
HIF1A Q16665 2/20 0.41
GMNN O75496 1/20 0.41
GABBR2 O75899 1/20 0.41

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
SCHEMBL8486297 0.82 NPC1 (0.36) ALDH1A1GAATSHRLMNAKDM4E
SCHEMBL284696 0.77 ALDH1A1 (0.63) ALDH1A1GAATSHRLMNAKDM4E
SCHEMBL10957632 0.76 ALDH1A1 (0.41) ALDH1A1GAATSHRLMNAKDM4E
SCHEMBL10955196 0.75 ALDH1A1 (0.41) ALDH1A1GAATSHRLMNAKDM4E
SCHEMBL10955520 0.72 ALDH1A1 (0.40) ALDH1A1GAATSHRLMNAKDM4E
SCHEMBL9862946 0.72 CA2 (0.52) ALDH1A1GAASMN1; SMN2CYP1A2CYP2C9
SCHEMBL39496 0.71 ALDH1A1 (0.52) ALDH1A1GAATSHRLMNAKDM4E
SCHEMBL5693103 0.71 ALDH1A1 (0.52) ALDH1A1GAATSHRLMNAKDM4E
SCHEMBL9193491 0.71 ALDH1A1 (0.52) ALDH1A1GAATSHRLMNAKDM4E
SCHEMBL283499 0.69 ALDH1A1 (0.59) ALDH1A1GAATSHRLMNAKDM4E

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-5962683-A STABILIZING ORGANIC MATERIAL AGAINST THE DAMAGING EFFECT OF LIGHT, OXYGEN AND/OR HEAT. CIBA SPECIALTY CHEMICALS CORP. (US) 1999-10-05 US disclosed
EP-0816346-A1 Oxazoline compounds as stabilizers Ciba SC Holding AG (CH) 1998-01-07 EP disclosed