Sugi Predict

Sugi Predict / Compounds / SCHEMBL7968913

SCHEMBL7968913

SCHEMBL7968913

C=C(CC=CC(=O)O)C(=O)OC.C=CC(=O)OCC1CO1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ MGLL Q99685 1/20 0.36
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
Styrene SCHEMBL9837868 0.90 MGLL (0.43) ALDH1A1MGLL
SCHEMBL7958173 0.89 ALDH1A1 (0.42) ALDH1A1MGLLTP53CYP3A4
Acrylic Acid Ethyl Ester SCHEMBL8342957 0.87 ALDH1A1 (0.45) ALDH1A1MGLLTP53CYP3A4
SCHEMBL11142068 0.87 ALDH1A1 (0.43) ALDH1A1MGLLTP53CYP3A4
SCHEMBL9717942 0.87 ALDH1A1 (0.61) ALDH1A1MGLLTP53CYP3A4
SCHEMBL7967972 0.86 ALDH1A1 (0.41) ALDH1A1
SCHEMBL7971090 0.85 TSHR (0.44) ALDH1A1MGLLCYP3A4
SCHEMBL7973640 0.84 ALDH1A1 (0.46) ALDH1A1MGLLTP53CYP3A4
SCHEMBL1219539 0.83 ALDH1A1 (0.53) ALDH1A1MGLLTP53CYP3A4
SCHEMBL28600281 0.82 MGLL (0.49) ALDH1A1MGLL

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