SCHEMBL8776612

SCHEMBL8776612

C=C(C)C(=O)C(CC)(COC(=O)OCc1ccccc1)C(C)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
SLC15A1 P46059 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
BRD4 O60885 1/20 0.35
ELANE P08246 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34

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
SCHEMBL29816067 0.76 ALDH1A1 (0.50) ALDH1A1KMT2ALMNAMEN1SLC15A1
SCHEMBL19998147 0.74 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAL3MBTL1MAPK1
SCHEMBL8776611 0.71 ALDH1A1 (0.42) ALDH1A1KMT2ALMNAL3MBTL1MAPK1
SCHEMBL24250956 0.70 ALDH1A1 (0.56) ALDH1A1KMT2ALMNAL3MBTL1MAPK1
SCHEMBL37382 0.69 ALDH1A1 (0.68) ALDH1A1KMT2ALMNAL3MBTL1MAPK1
Formaldehyde SCHEMBL28519982 0.68 ALDH1A1 (0.58) ALDH1A1KMT2ALMNAL3MBTL1MAPK1
SCHEMBL10837445 0.68 ALDH1A1 (0.54) ALDH1A1KMT2ALMNAMEN1L3MBTL1
SCHEMBL8452502 0.68 ALDH1A1 (0.54) ALDH1A1KMT2ALMNAL3MBTL1MAPK1
SCHEMBL3950440 0.68 ALDH1A1 (0.54) ALDH1A1KMT2ALMNAL3MBTL1MAPK1
SCHEMBL1840737 0.68 ALDH1A1 (0.62) ALDH1A1KMT2ALMNAL3MBTL1MAPK1

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-0687667-B1 Vinyl monomer having linear carbonate and hydroxyl groups NIPPON PAINT CO LTD (JP) 1997-12-03 EP disclosed
US-5534647-A Vinyl monomer having linear carbonate and hydroxyl groups NIPPON PAINT CO., LTD. (JP) 1996-07-09 US disclosed
EP-0687667-A1 Vinyl monomer having linear carbonate and hydroxyl groups NIPPON PAINT CO., LTD. (JP) 1995-12-20 EP disclosed