SCHEMBL8045679

SCHEMBL8045679

C=C(C)C(=O)OCCO.CC(C)=CCOC(=O)COc1ccc(C=CC=Cc2ccc(O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAOB P27338 4/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
PGR P06401 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.36
TBXA2R P21731 1/20 0.36
SLC6A2 P23975 1/20 0.36
AGTR1 P30556 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL8053110 0.91 ABCG2 (0.44) POLBAPEX1HTTTDP1MAOB
SCHEMBL8048204 0.90 NPSR1 (0.41) MAOBMAPTMEN1NR1I2LMNA
SCHEMBL8046927 0.89 PTGS2 (0.43) MAOBMAPTMEN1NR1I2LMNA
SCHEMBL8046803 0.85 PPARG (0.40) MAPTPTGS2ABCG2STAT3BACE1
SCHEMBL8050450 0.83 ABCG2 (0.36) POLBAPEX1HTTTDP1MAOB
Acrylic Acid Methyl Ester SCHEMBL8050149 0.81 PTGS2 (0.43) MAOBMAPTMEN1NR1I2LMNA
SCHEMBL8035838 0.81 MAOB (0.40) MAOBMAPTMEN1NR1I2LMNA
SCHEMBL8036026 0.81 CHRNB2 (0.38) MAOBMAPTMEN1NR1I2LMNA
SCHEMBL8045438 0.74 ABCG2 (0.43) POLBAPEX1HTTTDP1MAOB
SCHEMBL8045370 0.74 GAA (0.49) MAPTMEN1NR1I2LMNAPGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6010826-A Resist composition NIPPON ZEON CO., LTD. (JP) 2000-01-04 US disclosed
EP-0786701-A1 RESIST COMPOSITION NIPPON ZEON CO., LTD. (JP) 1997-07-30 EP disclosed