SCHEMBL29323724

SCHEMBL29323724

C=C(C)C(=O)OCCS(=O)(=O)c1ccc(C(F)(F)F)c(I)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CA2 P00918 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
THRB P10828 2/20 0.32
RORC P51449 3/20 0.32
CYP2D6 P10635 1/20 0.32
MMP1 P03956 1/20 0.32
CFTR P13569 1/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.31
TP53 P04637 2/20 0.31
MAPT P10636 1/20 0.31
KIF11 P52732 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
SCHEMBL29323722 0.80 MMP1 (0.50) HTTALDH1A1CA2POLBAPEX1
SCHEMBL29323726 0.79 ALDH1A1 (0.41) HTTALDH1A1CA2POLBAPEX1
SCHEMBL9555297 0.74 KMT2A (0.48) HTTALDH1A1CA2POLBAPEX1
SCHEMBL8896484 0.74 ALDH1A1 (0.50) ALDH1A1CA2LMNAGAAKMT2A
SCHEMBL1130280 0.73 MAPT (0.47) HTTCA2POLBAPEX1TDP1
SCHEMBL9555239 0.71 HSP90AA1 (0.39) HTTALDH1A1CA2POLBAPEX1
SCHEMBL9317032 0.68 F2 (0.47) HTTALDH1A1CA2POLBTDP1
SCHEMBL9555204 0.68 ALDH1A1 (0.42) HTTALDH1A1CA2POLBAPEX1
SCHEMBL9317038 0.68 F2 (0.47) HTTALDH1A1CA2POLBTDP1
SCHEMBL15502182 0.68 THRB (0.46) ALDH1A1CA2THRBLMNAGAA

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
US-20240241440-A1 POLYMER, PHOTORESIST COMPOSITIONS INCLUDING THE SAME, AND PATTERN FORMATION METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2024-07-18 US disclosed
US-20240241440-A1 POLYMER, PHOTORESIST COMPOSITIONS INCLUDING THE SAME, AND PATTERN FORMATION METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2024-07-18 US disclosed