SCHEMBL29952883

SCHEMBL29952883

[C-]#[N+]C(CCCC(=O)OC)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
LMNA P02545 4/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MEN1 O00255 2/20 0.33
SLC1A1 P43005 1/20 0.33
EPHX2 P34913 1/20 0.33
PPARG P37231 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
SCHEMBL29955967 0.87 CA1 (0.39) TSHRKMT2ACA1CA2
SCHEMBL29950515 0.81 CA2 (0.53) TSHRLMNAALDH1A1CA1CA2
SCHEMBL29950857 0.80 CA1 (0.35) CA1CA2
SCHEMBL29956933 0.79 ZDHHC7 (0.56) LMNAKMT2AMAPTHSD17B10CA1
SCHEMBL29668156 0.79 ZDHHC7 (0.36) LMNACA1CA2
SCHEMBL29956277 0.78 GABRP (0.38) TSHRKMT2ACA1CA2SLC1A1
SCHEMBL29954134 0.77 TSHR (0.37) TSHRLMNAALDH1A1KMT2AMAPT
SCHEMBL11298327 0.77 CA1 (0.42) TSHRLMNAKMT2ACA1CA2
SCHEMBL11592937 0.75 TSHR (0.58) TSHRLMNAALDH1A1L3MBTL1KDM4E
SCHEMBL10425792 0.73 TSHR (0.56) TSHRLMNAALDH1A1L3MBTL1KDM4E

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed