SCHEMBL12200469

SCHEMBL12200469

CCC(O)COC(=O)C(C)(CC)CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.38
PRKCA P17252 1/20 0.34
ADRB2 P07550 2/20 0.32
ADRB1 P08588 2/20 0.32
ADRB3 P13945 2/20 0.32
LMNA P02545 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
SCHEMBL19012170 0.82 TSHR (0.50) MMP8
SCHEMBL17617148 0.80 MMP8 (0.56) MMP8LMNA
SCHEMBL17617202 0.80 MMP8 (0.56) MMP8LMNA
SCHEMBL840959 0.79
SCHEMBL10226719 0.77 CYP3A4 (0.51) MMP8LMNA
SCHEMBL8986670 0.77 HMGCR (0.41) PRKCAADRB2ADRB1ADRB3LMNA
SCHEMBL12877193 0.76 PRKCA (0.50) PRKCAADRB2ADRB1ADRB3LMNA
SCHEMBL12618983 0.76 MMP8 (0.46) MMP8
SCHEMBL16131099 0.76 PRKCA (0.50) PRKCAADRB2ADRB1ADRB3LMNA
SCHEMBL11026153 0.76 TSHR (0.42) MMP8PRKCALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146687-B1 HAIR CONDITIONING COMPOSITION COMPRISING QUATERNIZED SILICONE POLYMER, GRAFTED SILICONE COPOLYOL, AND DIALKYL CATIONIC SURFACTANT PROCTER & GAMBLE (US) 2011-10-12 EP disclosed
EP-2169463-A2 Colored curable composition, color filter and method for producing the same FUJIFILM Corporation (JP) 2010-03-31 EP disclosed