SCHEMBL23019706

SCHEMBL23019706

CCON(Cc1ccccc1)CS(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
G6PC1 P35575 1/20 0.39
AOC3 Q16853 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR3C1 P04150 1/20 0.36
CNR2 P34972 1/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL8423289 0.85 TSHR (0.50) ALDH1A1TSHRG6PC1AOC3NPC1
SCHEMBL2659990 0.81 TSHR (0.48) ALDH1A1TSHRG6PC1AOC3NPC1
Alcohol SCHEMBL7695411 0.79 G6PC1 (0.46) ALDH1A1TSHRG6PC1AOC3NPC1
SCHEMBL27446334 0.78 ALDH1A1 (0.43) ALDH1A1TSHRG6PC1AOC3NPC1
SCHEMBL20670478 0.76 ALDH1A1 (0.43) ALDH1A1TSHRAOC3NPC1RAB9A
SCHEMBL17632159 0.75 TSHR (0.41) ALDH1A1TSHRG6PC1AOC3NPC1
SCHEMBL23867189 0.74 SMN1; SMN2 (0.41) ALDH1A1TSHRG6PC1AOC3NPC1
SCHEMBL9079988 0.74 LTA4H (0.52) NR3C1
SCHEMBL27491750 0.72 TSHR (0.52) ALDH1A1TSHRAOC3NPC1RAB9A
SCHEMBL2659567 0.71 TSHR (0.54) ALDH1A1TSHRAOC3NPC1RAB9A

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
EP-3277677-B9 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LTD (GB) 2021-07-14 EP disclosed
EP-3277677-B1 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS MISSION THERAPEUTICS LTD (GB) 2021-02-24 EP disclosed