SCHEMBL7957792

SCHEMBL7957792

C=C(C(=O)OCC1CO1)C(C=CC(=O)O)C=Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.49
ALDH1A1 P00352 1/20 0.40
HDAC3 O15379 1/20 0.36
TNKS O95271 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 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
SCHEMBL10894242 0.88 MGLL (0.46) MGLLALDH1A1
SCHEMBL3630361 0.86 MGLL (0.47) MGLLALDH1A1
SCHEMBL7970680 0.85 MGLL (0.45) MGLLALDH1A1
SCHEMBL5483467 0.80 LMNA (0.51) ALDH1A1HDAC3TNKSHDAC4HDAC1
Cinnamic Acid SCHEMBL11667219 0.79 ALDH1A1 (0.61) MGLLALDH1A1HDAC3TNKSHDAC4
Cinnamic Acid SCHEMBL11667224 0.79 ALDH1A1 (0.61) MGLLALDH1A1HDAC3TNKSHDAC4
SCHEMBL7089740 0.79 KDM4E (0.38) ALDH1A1HDAC3TNKSHDAC4HDAC1
SCHEMBL6406713 0.78 MGLL (0.61) MGLLALDH1A1
SCHEMBL7968042 0.78 ALDH1A1 (0.43) MGLLALDH1A1
SCHEMBL5418266 0.77 HDAC3 (0.45) ALDH1A1HDAC3TNKSHDAC4HDAC1

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