SCHEMBL29885697

SCHEMBL29885697

C/C(=C\C(=O)OCCCCCCCC(=O)Nc1c2sscc-2[nH]c1=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 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
IARS1 P41252 1/20 0.34

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
SCHEMBL9036340 1.00 HTR2A (0.34) HTR2AIARS1
SCHEMBL29711138 1.00 HTR2A (0.34) HTR2AIARS1
SCHEMBL29380878 1.00 HTR2A (0.34) HTR2AIARS1
SCHEMBL29711098 0.94 HTR2A (0.32) HTR2AIARS1
SCHEMBL29711198 0.94 HTR2A (0.33) HTR2AIARS1
SCHEMBL29711147 0.89 IARS1 (0.45) HTR2AIARS1
SCHEMBL29885136 0.79 IARS1 (0.51) HTR2AIARS1
SCHEMBL29885016 0.79 IARS1 (0.51) HTR2AIARS1
SCHEMBL29711131 0.78 HTR2A (0.33) HTR2AIARS1
Thiomarinol H SCHEMBL29884021 0.77 CCR2 (0.39) HTR2AIARS1

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