SCHEMBL7600537

SCHEMBL7600537

CC(C)(C)C(=O)OC12CCCCC1O2

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL7600518 0.81 EP300 (0.31)
SCHEMBL13740855 0.80 CYP2C19 (0.30)
SCHEMBL29141131 0.79 LMNA (0.30)
SCHEMBL5608046 0.77 CYP2C19 (0.33)
SCHEMBL28979881 0.76
SCHEMBL3284806 0.75 ALDH1A1 (0.33)
SCHEMBL8461185 0.73 NAAA (0.36) SMN1; SMN2
SCHEMBL9647530 0.73
SCHEMBL7698446 0.73
SCHEMBL9647527 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384265-B1 ACID CATALYSIS FOR REARRANGEMENT/INVERSION OF STEREOCONFIGURATION; KINETIC RESOLUTION OF RACEMIC MIXTURES USING A CHIRAL CATALYST COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2002-05-07 US disclosed
EP-1169291-A1 METHODS FOR PRODUCING $g(a)-ACYLOXY CARBONYL COMPOUNDS FROM ENOL ESTER EPOXIDES COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2002-01-09 EP disclosed
WO-2000056696-A1 METHODS FOR PRODUCING α-ACYLOXY CARBONYL COMPOUNDS FROM ENOL ESTER EPOXIDES COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2000-09-28 WO disclosed