SCHEMBL5471900

SCHEMBL5471900

CC(C)CC1(C(=O)O)CC1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
SLC6A4 P31645 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL13269289 0.80
SCHEMBL14498200 0.79 SMN1; SMN2 (0.31)
SCHEMBL14485506 0.78
SCHEMBL4039600 0.77 GRM4 (0.37) GRM4ALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL4039603 0.77 GRM4 (0.37) GRM4ALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL21448787 0.70 KMO (0.45) SLC6A4
SCHEMBL32689077 0.69 HSD11B1 (0.35)
SCHEMBL32688716 0.68 CYP2D6 (0.36) CYP2C19CYP2D6
SCHEMBL8768564 0.65 RAB9A (0.31)
SCHEMBL2747115 0.65 ADAM17 (0.30) CYP1A2CYP2C9

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
US-20070007489-A1 Heat transfer medium composition SHISHIAI-KABUSHIKIGAISHA (JP) 2007-01-11 US claimed
EP-1698678-A1 HEAT CARRIER COMPOSITION Shishiai-Kabushikigaisha (JP) 2006-09-06 EP claimed
US-20070007489-A1 Heat transfer medium composition SHISHIAI-KABUSHIKIGAISHA (JP) 2007-01-11 US disclosed
EP-1698678-A1 HEAT CARRIER COMPOSITION Shishiai-Kabushikigaisha (JP) 2006-09-06 EP disclosed