SCHEMBL7596480

SCHEMBL7596480

CCCC(=O)OC(C(=O)OC)C(C)C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
ALDH1A1 P00352 2/20 0.36
ABCB1 P08183 1/20 0.36
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
CTSK P43235 4/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSH P09668 1/20 0.32
MTNR1A P48039 3/20 0.31
MTNR1B P49286 3/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
PRKCA P17252 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
SCHEMBL7591552 0.90 LMNA (0.45) LMNAALDH1A1ABCB1CA1CA2
SCHEMBL7591457 0.89 LMNA (0.51) LMNAALDH1A1ABCB1MAPTMAPK1
SCHEMBL7593200 0.88 LMNA (0.54) LMNAALDH1A1ABCB1MAPTMAPK1
SCHEMBL7593534 0.86 ABCB1 (0.35) ABCB1CA1CA2MMP1MMP2
SCHEMBL7597304 0.77 TSHR (0.39) LMNAALDH1A1ABCB1MAPT
SCHEMBL7596263 0.77 SMN1; SMN2 (0.34) ABCB1
SCHEMBL24220782 0.74 ALDH1A1 (0.44) LMNAALDH1A1ABCB1CA1CA2
SCHEMBL7595502 0.73 HCAR2 (0.37) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL7596042 0.72 MGAM (0.34) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL7287996 0.72 ALDH1A1 (0.46) LMNAALDH1A1CTSKMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1116267-C Process for producing branched aldehydes KURARAY CO (JP) 2003-07-30 CN disclosed
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
CN-1197788-A Process for producing branched aldehydes KURARAY CO (JP) 1998-11-04 CN disclosed
EP-0867427-A1 Process for producing branched aldehydes KURARAY CO., LTD. (JP) 1998-09-30 EP disclosed