SCHEMBL29323689

SCHEMBL29323689

C=C(C)C(=O)OCCS(=O)(=O)C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
TSHR P16473 4/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
NFKB1 P19838 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRA6 Q16445 1/20 0.37
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL29323691 0.86 THRB (0.42) THRBTSHRALDH1A1CA1CA2
SCHEMBL29323669 0.85 THRB (0.41) THRBTSHRALDH1A1CA1CA2
SCHEMBL28083748 0.75 THRB (0.43) THRBTSHRALDH1A1GABRA1GABRA5
SCHEMBL29323728 0.74 GPR119 (0.41)
SCHEMBL29323665 0.73
Aziridine SCHEMBL19714788 0.72 THRB (0.50) THRBTSHRALDH1A1CA1CA2
SCHEMBL9228965 0.71 THRB (0.53) THRBTSHRALDH1A1CA1CA2
SCHEMBL25286189 0.71 THRB (0.48) THRBTSHRALDH1A1CA2POLB
Isonipecotic Acid SCHEMBL28310983 0.71 TSHR (0.50) THRBTSHRALDH1A1LMNAGABRA1
SCHEMBL2936706 0.70 THRB (0.52) THRBTSHRALDH1A1CA1CA2

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