SCHEMBL4978136

SCHEMBL4978136

CCCC(C)C1(CC(=O)OC)CCC(=O)C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
GABRB3 P28472 1/20 0.33
OPRD1 P41143 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
LMNA P02545 1/20 0.31

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
SCHEMBL7174283 0.71 TP53 (0.42) TP53
SCHEMBL10086067 0.66 TSHR (0.39) TP53
SCHEMBL26768116 0.63 TP53 (0.36) TP53KDM4ELMNA
SCHEMBL27473825 0.63 TP53 (0.36) TP53
SCHEMBL3701415 0.63 TSHR (0.38) TP53
Hydrochloric Acid SCHEMBL30642222 0.62 TP53 (0.35) TP53KDM4ELMNA
SCHEMBL8263530 0.62 TP53 (0.34) TP53
SCHEMBL25540993 0.61 TP53 (0.46) TP53KDM4EALDH1A1LMNA
SCHEMBL4477732 0.60 NPSR1 (0.32)
SCHEMBL598045 0.60

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-1979528-A2 NON-TEXTILE POLYMER COMPOSITIONS AND METHODS INVISTA Technologies S.à.r.l. (CH) 2008-10-15 EP disclosed
WO-2007084596-A2 NON-TEXTILE POLYMER COMPOSITIONS AND METHODS INVISTA TECHNOLOGIES S.A R.L. (CH) 2007-07-26 WO disclosed