SCHEMBL24452986

SCHEMBL24452986

O=S(=O)(O)CCOC1CCC(OCC2CO2)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL733109 0.79 TSHR (0.50) TSHRTP53CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL29206277 0.78 TSHR (0.54) TSHRTP53CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL18775629 0.77 NPC1 (0.41) LMNA
SCHEMBL28385789 0.77
SCHEMBL14090781 0.77 TSHR (0.38) TSHRTP53CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL18775641 0.76 NPC1 (0.44) ALDH1A1LMNA
SCHEMBL24452790 0.76 TP53 (0.36) TSHRTP53CYP3A4ALDH1A1LMNA
SCHEMBL27818581 0.75 TSHR (0.43) TSHRTP53CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL18121990 0.75 TSHR (0.61) TSHRTP53CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL29020734 0.74 APP (0.39) LMNA

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 2 patents. 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
US-20220160281-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND REACTION COMPOSITE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-26 US disclosed