SCHEMBL24465362

SCHEMBL24465362

NS(=O)(=O)CCCOCC1CO1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 6/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
PKM P14618 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
CA2 P00918 1/20 0.30

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
SCHEMBL24737124 0.81 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL18121990 0.81 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
Lithium Ion SCHEMBL31194680 0.80 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL22627239 0.78 SMN1; SMN2 (0.63) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL28067509 0.78 TSHR (0.67) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL28966011 0.78 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL13974192 0.77 TSHR (1.00) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL100304 0.77 TSHR (0.90) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL24547426 0.77 TSHR (0.90) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL17549553 0.77 TSHR (1.00) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1

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
EP-4006921-A2 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND REACTION COMPOSITE Shin-Etsu Chemical Co., Ltd. (JP) 2022-06-01 EP disclosed