SCHEMBL9763405

SCHEMBL9763405

COC(=O)C(C)C(C)(OC)OC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
CA14 Q9ULX7 3/20 0.38
CA12 O43570 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 1/20 0.31
MME P08473 1/20 0.31
PIK3CD O00329 1/20 0.30
DGAT1 O75907 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
SCHEMBL7434659 0.79 SMN1; SMN2 (0.50) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL13798757 0.79 SMN1; SMN2 (0.50) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL10331462 0.77 SMN1; SMN2 (0.42) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL16104479 0.77 TSHR (0.32) ALDH1A1
SCHEMBL9794475 0.77 SMN1; SMN2 (0.40) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL23786850 0.75 SMN1; SMN2 (0.41) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL28738654 0.75 SMN1; SMN2 (0.41) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL15777140 0.75 SMN1; SMN2 (0.41) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL17614785 0.75 SMN1; SMN2 (0.41) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL31111331 0.75 SMN1; SMN2 (0.41) SMN1; SMN2CA14CA12CA1CA2

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-0257557-B1 PROCESS FOR THE PREPARATION OF BIFUNCTIONAL COMPOUNDS BASF Aktiengesellschaft (DE) 1991-12-04 EP claimed