SCHEMBL7597485

SCHEMBL7597485

C=CC(OC(=O)CC)C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TSHR P16473 4/20 0.32
ALDH1A1 P00352 2/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
NAAA Q02083 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
SCHEMBL7591554 0.78 ALDH1A1 (0.38) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9048760 0.77 MEN1 (0.35) TSHRALDH1A1MEN1KMT2ACYP2C19
SCHEMBL11131850 0.74 SMN1; SMN2 (0.39) CA1CA2TSHRALDH1A1MEN1
SCHEMBL616487 0.74
SCHEMBL27500259 0.74 KMT2A (0.35) ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL23277001 0.73
SCHEMBL8372725 0.73 TSHR (0.39) TSHRALDH1A1MEN1KMT2ACYP2C19
SCHEMBL14362097 0.73 TSHR (0.39) TSHRALDH1A1MEN1KMT2ACYP2C19
SCHEMBL9714842 0.71
SCHEMBL4673030 0.71 SMN1; SMN2 (0.38) ABCB1CA1CA2TSHRALDH1A1

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