SCHEMBL8776611

SCHEMBL8776611

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MAPK1 P28482 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
KMT2A Q03164 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
RAB9A P51151 3/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
MAPT P10636 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
SCHEMBL19998147 0.83 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL8776612 0.71 ALDH1A1 (0.42) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL24250956 0.70 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
Methacrylic Acid SCHEMBL36396 0.69 MAPK1 (0.59) ALDH1A1MAPK1TDP1KMT2ASLC6A2
SCHEMBL37382 0.69 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL16589246 0.69 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
Formaldehyde SCHEMBL28519982 0.68 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL3950440 0.68 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL1002323 0.68 MAPK1 (0.53) ALDH1A1MAPK1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL8452502 0.68 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1TDP1KMT2A

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