SCHEMBL24465396

SCHEMBL24465396

NN(C(=O)C1C2C=CC(C2)C1C(=O)OCC1CO1)S(=O)(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL24465399 0.84 TP53 (0.39) LMNATP53CYP3A4ALDH1A1
SCHEMBL24465392 0.80 ALDH1A1 (0.32) LMNAALDH1A1SMN1; SMN2POLBHTT
SCHEMBL424204 0.79 LMNA (0.62) LMNATP53CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL424205 0.79 LMNA (0.62) LMNATP53CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL24465323 0.79 ALDH1A1 (0.31) LMNAALDH1A1SMN1; SMN2POLBHTT
SCHEMBL24465436 0.76 TP53 (0.59) TP53CYP3A4ALDH1A1
SCHEMBL24465293 0.69 TP53 (0.31) TP53CYP3A4
SCHEMBL24453010 0.68 TSHR (0.33) TP53CYP3A4ALDH1A1
SCHEMBL24453016 0.68 ALDH1A1 (0.31) TP53CYP3A4ALDH1A1
SCHEMBL10036675 0.68 TP53 (0.56) LMNATP53CYP3A4ALDH1A1POLB

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