SCHEMBL10795129

SCHEMBL10795129

CC(C)COC(=O)c1cocc1C(=O)OCC(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
TSHR P16473 4/20 0.63
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39

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
SCHEMBL21473714 0.81 ALDH1A1 (0.56) ALDH1A1TSHRMAPTSMN1; SMN2TDP1
SCHEMBL827863 0.81 TSHR (0.70) ALDH1A1TSHRMAPTSMN1; SMN2TDP1
SCHEMBL29387332 0.78 ALDH1A1 (1.00) ALDH1A1TSHRMAPTSMN1; SMN2TDP1
SCHEMBL28614232 0.78 TSHR (0.71) ALDH1A1TSHRMAPTSMN1; SMN2TDP1
SCHEMBL42787 0.78 ALDH1A1 (1.00) ALDH1A1TSHRMAPTSMN1; SMN2TDP1
SCHEMBL8144263 0.78 ALDH1A1 (1.00) ALDH1A1TSHRMAPTSMN1; SMN2TDP1
SCHEMBL2036542 0.77 TSHR (0.59) ALDH1A1TSHRMAPTKDM4EMEN1
SCHEMBL4627198 0.76 TSHR (0.63) ALDH1A1TSHRMAPTSMN1; SMN2TDP1
SCHEMBL5078844 0.76 TSHR (0.63) ALDH1A1TSHRMAPTSMN1; SMN2TDP1
Ammonia Solution, Strong SCHEMBL28046886 0.76 ALDH1A1 (0.96) ALDH1A1TSHRMAPTSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0086472-B1 CATALYST FOR THE POLYMERIZATION OF OLEFINS Montedison S.p.A. (IT) 1987-05-20 EP disclosed
US-4473660-A COORDINATION CATALYST-CONTAINING ALKYL-ALUMINUM COMPOUND, ELECTRON DONOR, TITANIUM COMPOUND AND ESTER ON MAGNESIUM HALIDE SUPPORT MONTEDISON S.P.A. (IT) 1984-09-25 US disclosed
EP-0086472-A2 Catalyst for the polymerization of olefins Montedison S.p.A. (IT) 1983-08-24 EP disclosed
EP-0045977-A2 Components and catalysts for the polymerization of olefins Montedison S.p.A. (IT) 1982-02-17 EP disclosed