SCHEMBL7595502

SCHEMBL7595502

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.37
NAAA Q02083 1/20 0.34
ALDH1A1 P00352 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
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.32
HPGD P15428 1/20 0.30
TSHR P16473 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
SCHEMBL7594841 0.90 ATM (0.44) HCAR2NAAAALDH1A1LMNAATM
SCHEMBL7596042 0.86 MGAM (0.34) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL7590972 0.85 HCAR2 (0.38) HCAR2ALDH1A1LMNAATMHPGD
SCHEMBL7593534 0.83 ABCB1 (0.35) MMP1MMP2MMP3MMP9MMP13
SCHEMBL7591214 0.79 CTSK (0.32) MMP1MMP2MMP3MMP9MMP13
SCHEMBL7595840 0.76 CTSB (0.46) HCAR2ALDH1A1LMNATSHR
SCHEMBL7590049 0.75 ALDH1A1 (0.48) HCAR2ALDH1A1ATMHPGDTSHR
SCHEMBL7596480 0.73 LMNA (0.37) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL23375328 0.72 HCAR2 (0.43) HCAR2ALDH1A1LMNAATMHPGD
SCHEMBL7591552 0.71 LMNA (0.45) ALDH1A1LMNA

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