SCHEMBL22996789

SCHEMBL22996789

O=C(CCS)Oc1ccc(C(=O)OC2CCCCCCCCCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 1/20 0.42
PARP10 Q53GL7 2/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
CYP19A1 P11511 1/20 0.39
PARP15 Q460N3 1/20 0.39
BCHE P06276 1/20 0.39

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
SCHEMBL11116547 0.83 ALDH1A1 (0.60) STSSMN1; SMN2HTTALDH1A1MAPT
SCHEMBL19382901 0.82 STS (0.66) STSSMN1; SMN2HTTALDH1A1MAPT
SCHEMBL19382903 0.81 STS (0.65) STSSMN1; SMN2HTTALDH1A1MAPT
SCHEMBL110657 0.79 SMN1; SMN2 (0.68) STSSMN1; SMN2HTTALDH1A1MAPT
SCHEMBL18434834 0.77 ELANE (0.62) STSSMN1; SMN2HTTALDH1A1MAPT
SCHEMBL27647410 0.77 SMN1; SMN2 (0.66) STSSMN1; SMN2HTTALDH1A1MAPT
SCHEMBL27647587 0.77 SMN1; SMN2 (0.66) STSSMN1; SMN2HTTALDH1A1MAPT
SCHEMBL27667920 0.77 SMN1; SMN2 (0.66) STSSMN1; SMN2HTTALDH1A1MAPT
SCHEMBL27647433 0.77 SMN1; SMN2 (0.66) STSSMN1; SMN2HTTALDH1A1MAPT
SCHEMBL27647429 0.77 SMN1; SMN2 (0.66) STSSMN1; SMN2HTTALDH1A1MAPT

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-2021029311-A1 RESIN COMPOSITION, FILAMENTOUS MATERIAL, THREE-DIMENSIONAL ADDITIVELY MANUFACTURED OBJECT, AND METHOD FOR PRODUCING THREE-DIMENSIONAL ADDITIVELY MANUFACTURED OBJECT コニカミノルタ株式会社 2021-02-18 WO disclosed