SCHEMBL26529565

SCHEMBL26529565

NC1(C/C=C/CC(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
CYP2D6 P10635 1/20 0.52
ALOX15 P16050 1/20 0.52
PAM P19021 1/20 0.36

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
SCHEMBL26529631 0.92 ALDH1A1 (0.48) ALDH1A1CYP2D6ALOX15PAM
SCHEMBL26529637 0.92 ALDH1A1 (0.48) ALDH1A1CYP2D6ALOX15PAM
SCHEMBL26529809 0.90 ALDH1A1 (0.46) ALDH1A1CYP2D6ALOX15PAM
SCHEMBL18022775 0.76 PPARG (0.46) ALDH1A1ALOX15
SCHEMBL190067 0.72 CYP2D6 (1.00) ALDH1A1CYP2D6ALOX15PAM
SCHEMBL3134391 0.72 CYP2D6 (1.00) ALDH1A1CYP2D6ALOX15PAM
SCHEMBL28168136 0.72 CYP2D6 (1.00) ALDH1A1CYP2D6ALOX15PAM
SCHEMBL213024 0.72 CYP2D6 (1.00) ALDH1A1CYP2D6ALOX15PAM
SCHEMBL29257622 0.71 ALDH1A1 (0.48) ALDH1A1CYP2D6ALOX15PAM
SCHEMBL29257624 0.69 ALDH1A1 (0.46) ALDH1A1CYP2D6ALOX15

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-2023181030-A1 PESTICIDAL AND HERBICIDAL COMPOUNDS AND METHODS OF USE THEREOF AG PLENUS LTD (IL) 2023-09-28 WO disclosed