SCHEMBL21609753

SCHEMBL21609753

[CH2]C(OC)C(C#N)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 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
SCHEMBL14636311 0.76 SLC1A3 (0.32) SLC1A3SLC1A2SLC1A1
SCHEMBL28654671 0.72 ALDH1A1 (0.33) SLC1A3SLC1A2SLC1A1
SCHEMBL7108725 0.71
SCHEMBL658967 0.69
SCHEMBL5286648 0.67 SLC1A2 (0.42) SLC1A3SLC1A2SLC1A1
SCHEMBL9823595 0.67 TP53 (0.36)
SCHEMBL26940449 0.67
SCHEMBL11799498 0.67
SCHEMBL20943162 0.67 SLC1A3 (0.52) SLC1A3SLC1A2SLC1A1
SCHEMBL26940419 0.67

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
WO-2020002137-A1 CATALYST BASED ON A BETA-OXYGEN ESTER AND USE THEREOF IN A HYDROTREATING AND/OR HYDROCRACKING PROCESS IFP Energies Nouvelles (FR) 2020-01-02 WO disclosed