SCHEMBL7595840

SCHEMBL7595840

CCC(=O)OC(C(=O)OCc1ccccc1)C(C)C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.46
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.41
CTSH P09668 1/20 0.41
KMT2A Q03164 3/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC15A1 P46059 1/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39

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
SCHEMBL19846175 0.88 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1TSHRHCAR2
SCHEMBL19846201 0.88 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1TSHRHCAR2
SCHEMBL7594775 0.86 ALDH1A1 (0.56) CTSBALDH1A1L3MBTL1MAPK1TSHR
SCHEMBL18354708 0.81 ALDH1A1 (0.51) CTSBALDH1A1L3MBTL1MAPK1TSHR
SCHEMBL7596042 0.79 MGAM (0.34) ALDH1A1L3MBTL1KMT2ALMNAGAA
SCHEMBL7595502 0.76 HCAR2 (0.37) ALDH1A1TSHRHCAR2LMNA
SCHEMBL9099910 0.76 ALDH1A1 (0.56) CTSBALDH1A1L3MBTL1MAPK1HCAR2
SCHEMBL1871761 0.75 ALDH1A1 (0.68) ALDH1A1L3MBTL1MAPK1TSHRHCAR2
SCHEMBL111605 0.75 ALDH1A1 (0.68) ALDH1A1L3MBTL1MAPK1TSHRHCAR2
SCHEMBL27831746 0.74 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1TSHRHCAR2

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