SCHEMBL7970680

SCHEMBL7970680

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

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 7/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 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
SCHEMBL7957792 0.85 MGLL (0.49) MGLLALDH1A1
SCHEMBL35354 0.84 CASP1 (0.47) ALDH1A1CYP3A4
SCHEMBL10894242 0.84 MGLL (0.46) MGLLALDH1A1
SCHEMBL8943176 0.83 LMNA (0.46) ALDH1A1CYP3A4
SCHEMBL3630361 0.82 MGLL (0.47) MGLLALDH1A1
SCHEMBL4955015 0.81 ALDH1A1 (0.43) ALDH1A1CYP3A4
SCHEMBL7968573 0.79 ALDH1A1 (0.47) MGLLALDH1A1CYP3A4
SCHEMBL11317319 0.79 KDM4E (0.43) ALDH1A1CYP3A4
SCHEMBL8741158 0.79 AKR1C3 (0.46) ALDH1A1CYP3A4
SCHEMBL3629413 0.78 MGLL (0.41) MGLLALDH1A1

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