SCHEMBL11241691

SCHEMBL11241691

CC(C)CCOC(=O)C1CCC=CC1(C)C(=O)OCCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.35
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP19A1 P11511 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
SCHEMBL11236471 0.81 PPARG (0.36) PPARGHTT
SCHEMBL27216298 0.80 ESR1 (0.32)
SCHEMBL27216290 0.80 ESR1 (0.32)
SCHEMBL18145198 0.79 ALDH1A1 (0.37) MEN1KMT2A
SCHEMBL10476964 0.75 TSHR (0.34)
SCHEMBL536513 0.74 TP53 (0.43)
SCHEMBL27216276 0.72 ALDH1A1 (0.34) PPARG
SCHEMBL7167662 0.71 ATM (0.35) HTT
SCHEMBL11230973 0.70 CYP3A4 (0.34) PPARGCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL27216287 0.70 PPARG (0.36) PPARGHTT

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
US-4314946-A Process for the continuous separation of maleic anhydride from process gases FTALITAL PRODOTTI CHIMICI SPECIALI S.P.A. (IT) 1982-02-09 US disclosed