SCHEMBL7594841

SCHEMBL7594841

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
NAAA Q02083 1/20 0.43
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
HCAR2 Q8TDS4 3/20 0.40
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.34
CTSK P43235 3/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 1/20 0.33

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
SCHEMBL7595502 0.90 HCAR2 (0.37) ATMNAAATSHRHPGDHCAR2
SCHEMBL7590049 0.86 ALDH1A1 (0.48) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL7596042 0.83 MGAM (0.34) ALDH1A1NPC1L3MBTL1LMNA
SCHEMBL7593534 0.80 ABCB1 (0.35) SMN1; SMN2CTSKCTSLCTSBCTSH
SCHEMBL6835404 0.76 NAAA (0.52) ATMNAAATSHRHPGDHCAR2
SCHEMBL7591214 0.76 CTSK (0.32) CTSK
SCHEMBL7590972 0.76 HCAR2 (0.38) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL7591552 0.75 LMNA (0.45) ALDH1A1MAPTLMNACTSKCTSL
SCHEMBL7591457 0.74 LMNA (0.51) TSHRALDH1A1MAPTLMNA
SCHEMBL28828332 0.74 NAAA (0.39) ATMNAAATSHRHPGDHCAR2

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