SCHEMBL7968042

SCHEMBL7968042

C=C(C(=O)OCC1CO1)C(C=CC#N)C=CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
MGLL Q99685 1/20 0.34
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
SCHEMBL7968573 0.84 ALDH1A1 (0.47) ALDH1A1MGLLTP53CYP3A4
SCHEMBL3630361 0.82 MGLL (0.47) ALDH1A1MGLL
SCHEMBL7957792 0.78 MGLL (0.49) ALDH1A1MGLL
SCHEMBL7746831 0.75 HCAR2 (0.35)
Acrylic Acid SCHEMBL7172352 0.75 ALDH1A1 (0.47) ALDH1A1MGLLTP53CYP3A4
Acrylic Acid SCHEMBL5918902 0.72 HCAR2 (0.33)
SCHEMBL17923568 0.71 ALDH1A1 (0.62) ALDH1A1MGLLTP53CYP3A4
SCHEMBL7971565 0.71 ALDH1A1 (0.44) ALDH1A1MGLLTP53CYP3A4
SCHEMBL9562531 0.70 ALDH1A1 (0.50) ALDH1A1MGLLTP53CYP3A4
SCHEMBL8946165 0.70 ALDH1A1 (0.66) ALDH1A1MGLLTP53CYP3A4

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-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 claimed
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