SCHEMBL4053641

SCHEMBL4053641

CCC(C)(C)C(=O)C(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
RIPK1 Q13546 4/20 0.33
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RNPEP Q9H4A4 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PTGS1 P23219 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
SCHEMBL8463336 0.87 RIPK1 (0.32) RIPK1CA2TDP1
SCHEMBL28536189 0.82 RIPK1 (0.31) RIPK1
SCHEMBL29242539 0.77 CA1 (0.33) CA2
SCHEMBL10044964 0.77 CYP1A2 (0.38) RIPK1CYP1A2
SCHEMBL17433678 0.76 CA2 (0.37) RIPK1CA2MAPK1CHRM1AKR1A1
SCHEMBL21470066 0.74 ALDH1A1 (0.35) CA2MAPK1ALDH1A1
SCHEMBL2467543 0.74 TP53 (0.40) TP53ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL19056892 0.74 TP53 (0.40) TP53ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL11457365 0.73 RIPK1 (0.30) RIPK1
SCHEMBL12060203 0.73 TSHR (0.31) RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7527870-B2 Organosiloxane compositions DOW CORNING CORPORATION (US) 2009-05-05 US disclosed
EP-1620491-B1 MOISTURE CURABLE ORGANOSILOXANE COMPOSITIONS DOW CORNING (US) 2007-04-25 EP disclosed
US-20060194067-A1 Organosiloxane compositions DOW SILICONES CORPORATION 2006-08-31 US disclosed
US-7022800-B2 Organosiloxane compositions DOW CORNING S.A. (BE) 2006-04-04 US disclosed
EP-1620491-A1 MOISTURE CURABLE ORGANOSILOXANE COMPOSITIONS Dow Corning Corporation (US) 2006-02-01 EP disclosed
WO-2004094503-A1 MOISTURE CURABLE ORGANOSILOXANE COMPOSITIONS DOW CORNING CORPORATION (US) 2004-11-04 WO disclosed
US-20040214965-A1 Organosiloxane compositions DOW CORNING S.A. (BE) 2004-10-28 US disclosed
EP-1254192-B1 ORGANOSILOXANE COMPOSITIONS DOW CORNING SA (BE) 2004-08-04 EP disclosed
EP-1254192-A2 ORGANOSILOXANE COMPOSITIONS DOW CORNING S.A. (BE) 2002-11-06 EP disclosed
WO-2001049789-A2 ORGANOSILOXANE COMPOSITIONS DOW CORNING S.A. (BE) 2001-07-12 WO disclosed