SCHEMBL29885136

SCHEMBL29885136

C/C(=C\C(=O)OCCCCCCCC(=O)O)[C@@H](O)[C@@H]1OC[C@H](C/C=C/[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IARS1 P41252 4/20 0.51
HTR2A P28223 1/20 0.51

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
SCHEMBL29885016 1.00 IARS1 (0.51) IARS1HTR2A
SCHEMBL14616862 0.84 IARS1 (0.69) IARS1HTR2A
SCHEMBL974341 0.84 IARS1 (0.69) IARS1HTR2A
Thiomarinol H SCHEMBL29884021 0.82 CCR2 (0.39) IARS1HTR2A
SCHEMBL29885697 0.79 HTR2A (0.34) IARS1HTR2A
SCHEMBL9036340 0.79 HTR2A (0.34) IARS1HTR2A
SCHEMBL29380878 0.79 HTR2A (0.34) IARS1HTR2A
SCHEMBL29711138 0.79 HTR2A (0.34) IARS1HTR2A
SCHEMBL29711131 0.78 HTR2A (0.33) IARS1HTR2A
SCHEMBL29711098 0.73 HTR2A (0.32) IARS1HTR2A

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-11421223-B2 Processes and host cells for genome, pathway, and biomolecular engineering ENEVOLV, INC. (US) 2022-08-23 US disclosed