SCHEMBL879511

SCHEMBL879511

CC(C)CC(=O)OC1(C)CCOC1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 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
SCHEMBL13893365 0.78 CYP2C9 (0.35) LMNACYP2C9
SCHEMBL12872932 0.78 CYP2C9 (0.37) LMNACYP2C9
SCHEMBL879157 0.76 POLB (0.33) LMNACYP2C9
SCHEMBL12705138 0.75 LMNA (0.33) LMNACYP2C9
SCHEMBL685736 0.74 TSHR (0.35)
SCHEMBL685965 0.74 TSHR (0.35)
SCHEMBL13817658 0.73 SMN1; SMN2 (0.36) PRKCALMNACYP2C9
SCHEMBL12783086 0.73 ALDH1A1 (0.32)
SCHEMBL19223355 0.73 ALDH1A1 (0.32)
SCHEMBL12783085 0.73 POLB (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2434343-A1 Resist composition, resist film therefrom and method of forming pattern therewith Fujifilm Corporation (JP) 2012-03-28 EP disclosed