SCHEMBL7971565

SCHEMBL7971565

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

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
MGLL Q99685 1/20 0.38
TP53 P04637 1/20 0.33
CYP3A4 P08684 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
SCHEMBL25215785 0.79 ALDH1A1 (0.59) ALDH1A1MGLLTP53CYP3A4
SCHEMBL3150750 0.78 MGLL (0.48) ALDH1A1MGLLTP53CYP3A4
SCHEMBL17923568 0.78 ALDH1A1 (0.62) ALDH1A1MGLLTP53CYP3A4
SCHEMBL7968832 0.77 MGLL (0.57) ALDH1A1MGLL
SCHEMBL10448731 0.77 ATM (0.45) ALDH1A1TP53
SCHEMBL7968573 0.76 ALDH1A1 (0.47) ALDH1A1MGLLTP53CYP3A4
1,1-Dichloroethene SCHEMBL3812800 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL18118069 0.74 ALDH1A1 (0.51) ALDH1A1MGLL
SCHEMBL14660655 0.74 PTGS1 (0.38)
SCHEMBL28378563 0.74 ALDH1A1 (0.53) 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