SCHEMBL25504658

SCHEMBL25504658

CC(C)NC(C(=O)OC(C)C)C(=O)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 4/20 0.40
TDP1 Q9NUW8 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
CA7 P43166 3/20 0.30
CA14 Q9ULX7 3/20 0.30
LMNA P02545 2/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL784179 0.80 TSHR (0.42) TSHRCA12CA1CA2CA9
SCHEMBL784245 0.80 TSHR (0.42) TSHRCA12CA1CA2CA9
SCHEMBL784283 0.80 TSHR (0.42) TSHRCA12CA1CA2CA9
Hydrochloric Acid SCHEMBL23859870 0.78 TSHR (0.40) TSHRCA12CA1CA2CA9
SCHEMBL790359 0.76 TSHR (0.39) TSHRCA12CA1CA2CA9
SCHEMBL790024 0.76 TSHR (0.39) TSHRCA12CA1CA2CA9
SCHEMBL790105 0.76 TSHR (0.39) TSHRCA12CA1CA2CA9
SCHEMBL4585366 0.75 TSHR (0.53) TSHRCA12CA1CA2CA9
SCHEMBL19764851 0.75 TSHR (0.37) TSHRCA12CA1CA2CA9
SCHEMBL14113868 0.73 TSHR (0.36) TSHRCA1CA2HCAR2LMNA

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
WO-2023078464-A1 EPSILON-POLY-L-LYSINE-BASED DRUG CONJUGATE, INTERMEDIATE THEREOF, AND APPLICATION THEREOF 上海弼领生物技术有限公司 2023-05-11 WO disclosed