SCHEMBL7973242

SCHEMBL7973242

O=C(O)C(CC1CO1)=C(CC1CO1)OC=Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.42
HAO1 Q9UJM8 1/20 0.35
BCHE P06276 1/20 0.34
PAM P19021 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC3 O15379 1/20 0.33
TNKS O95271 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 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
SCHEMBL28192940 0.78 MGLL (0.42) MGLLBCHEPAMALDH1A1TDP1
SCHEMBL10914488 0.74 MGLL (0.44) MGLLHAO1BCHEALDH1A1TDP1
SCHEMBL16550652 0.73 MGLL (0.50) MGLLHDAC8HDAC6
SCHEMBL16550684 0.73 MGLL (0.50) MGLLHDAC8HDAC6
SCHEMBL4846004 0.71 MGLL (0.41) MGLLBCHEPAMALDH1A1
SCHEMBL4820517 0.71 MGLL (0.41) MGLLBCHEPAMALDH1A1TDP1
SCHEMBL631316 0.70 GRIK1 (0.52) MGLLHAO1PAMALDH1A1HDAC3
Methacrylic Acid SCHEMBL19970471 0.69 MGLL (0.37) MGLLHAO1BCHEALDH1A1TDP1
SCHEMBL1774350 0.69 CYP3A4 (0.53) MGLLALDH1A1TDP1LMNACYP2C9
SCHEMBL14988225 0.69 GLA (0.46) MGLLHAO1BCHEALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180691-B1 MIXING AN INK VEHICLE, A COLORANT AND A LATEX CONTAINING A POLYMER WITH EPOXY GROUPS, WHICH IS GENERATED BY POLYMERIZING A MIXTURE OF OLEFINIC MONOMERS AND AN UNSATURATED MONOMER CONTAINING EPOXIDE IN PRESENCE OF ANIONIC/NONIONIC XEROX CORPORATION 2001-01-30 US disclosed