SCHEMBL8936148

SCHEMBL8936148

CC(C)COC(=O)c1ccoc1CC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TSHR P16473 2/20 0.56
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 2/20 0.40
MEN1 O00255 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADORA2B P29275 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 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
SCHEMBL165370 0.81 ALDH1A1 (0.59) ALDH1A1TSHRMAPTSMN1; SMN2RAB9A
SCHEMBL15592326 0.78 TP53 (0.50) ALDH1A1TSHRSMN1; SMN2TDP1TP53
SCHEMBL28295333 0.77 ALDH1A1 (0.54) ALDH1A1TSHRMAPTSMN1; SMN2RAB9A
SCHEMBL28296973 0.76 ALDH1A1 (0.53) ALDH1A1TSHRMAPTSMN1; SMN2RAB9A
SCHEMBL28295482 0.76 ALDH1A1 (0.53) ALDH1A1TSHRMAPTSMN1; SMN2RAB9A
SCHEMBL28614232 0.72 TSHR (0.71) ALDH1A1TSHRMAPTSMN1; SMN2RAB9A
SCHEMBL29387332 0.72 ALDH1A1 (1.00) ALDH1A1TSHRMAPTSMN1; SMN2RAB9A
SCHEMBL42787 0.72 ALDH1A1 (1.00) ALDH1A1TSHRMAPTSMN1; SMN2RAB9A
SCHEMBL8144263 0.72 ALDH1A1 (1.00) ALDH1A1TSHRMAPTSMN1; SMN2RAB9A
SCHEMBL827863 0.72 TSHR (0.70) ALDH1A1TSHRMAPTSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583188-A USING TITANIUM, ORGANOALUMINUM, NITROGEN OR OXYGEN HETEROCYCLE CONTAINING CATALYST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1996-12-10 US disclosed
EP-0086644-B1 CATALYST COMPOSITION AND PROCESS FOR POLYMERIZING OLEFINS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1987-05-06 EP disclosed
EP-0086644-A2 Catalyst composition and process for polymerizing olefins MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1983-08-24 EP disclosed