SCHEMBL6441950

SCHEMBL6441950

CC1(C)C(CC=O)CC1CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.37
GRM5 P41594 1/20 0.37
GRM1 Q13255 1/20 0.37
SLC6A12 P48065 3/20 0.33
SLC6A11 P48066 3/20 0.33
SLC6A13 Q9NSD5 3/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD11B1 P28845 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6441305 0.85
SCHEMBL3319955 0.80 GRM2 (0.39) GRM2GRM5GRM1SLC6A12SLC6A11
SCHEMBL3318990 0.80 GRM2 (0.39) GRM2GRM5GRM1SLC6A12SLC6A11
SCHEMBL15747165 0.74 GRM2 (0.41) GRM2GRM5GRM1SLC6A12SLC6A11
SCHEMBL14844084 0.73 CD81 (0.34)
SCHEMBL15969307 0.73 CD81 (0.34)
SCHEMBL23533458 0.73 ALOX5 (0.45) ALDH1A1TDP1
SCHEMBL11693243 0.73 GRM2 (0.38) GRM2GRM5GRM1CYP1A2ALDH1A1
SCHEMBL13851453 0.72 GRM2 (0.39) GRM2GRM5GRM1SLC6A12SLC6A11
SCHEMBL6152852 0.72 GRM2 (0.39) GRM2GRM5GRM1SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1188735-B1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL CO (JP) 2005-07-27 EP disclosed
US-20040152592-A1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL COMPANY, LIMTED 2004-08-05 US disclosed
US-6703528-B2 CATALYTIC OXIDATION OF OLEFIN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-03-09 US disclosed
EP-1188735-A1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-20 EP disclosed
US-20020025906-A1 Process for producing carbonyl or hydroxy compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-28 US disclosed