SCHEMBL7596263

SCHEMBL7596263

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

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 1/20 0.34
ABCB1 P08183 1/20 0.34
CA14 Q9ULX7 2/20 0.32
CA12 O43570 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
SCHEMBL7597304 0.84 TSHR (0.39) SMN1; SMN2KMT2AABCB1CA14CA12
SCHEMBL7593534 0.79 ABCB1 (0.35) SMN1; SMN2KMT2AABCB1
SCHEMBL7596480 0.77 LMNA (0.37) ABCB1
SCHEMBL7591552 0.74 LMNA (0.45) ABCB1
SCHEMBL879067 0.72 SMN1; SMN2 (0.41) SMN1; SMN2KMT2ACA14CA12
SCHEMBL15479189 0.71 MMP1 (0.41)
SCHEMBL9457204 0.70 SMN1; SMN2 (0.39) SMN1; SMN2KMT2ACA14CA12
SCHEMBL846523 0.69 SMN1; SMN2 (0.52) SMN1; SMN2KMT2ACA14CA12
SCHEMBL66536 0.69
SCHEMBL13741138 0.69 SMN1; SMN2 (0.42) SMN1; SMN2KMT2ACA14CA12

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
EP-0867427-B1 Process for producing branched aldehydes KURARAY CO (JP) 2002-11-06 EP disclosed
US-5932761-A Process for producing branched aldehydes KURARAY CO., LTD. (JP) 1999-08-03 US disclosed
EP-0867427-A1 Process for producing branched aldehydes KURARAY CO., LTD. (JP) 1998-09-30 EP disclosed