SCHEMBL28950737

SCHEMBL28950737

CC(C)(C)OC(=O)C(CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 5/20 0.40
POLB P06746 1/20 0.39
SYK P43405 1/20 0.38
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
LTA4H P09960 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL14254923 0.82 LTB4R (0.37) MAPTL3MBTL1ALDH1A1CYP3A4
SCHEMBL16419678 0.82 ALDH1A1 (0.48) L3MBTL1SYKMAPK1TDP1ALDH1A1
SCHEMBL15699370 0.81 CTSK (0.48) MAPTSYK
SCHEMBL952619 0.81 CTSK (0.48) MAPTSYK
SCHEMBL952620 0.81 CTSK (0.48) MAPTSYK
SCHEMBL14596703 0.81 AAK1 (0.36) MAPTL3MBTL1ALDH1A1CYP3A4
SCHEMBL13561435 0.80 LTA4H (0.41) L3MBTL1MAPK1TDP1LTA4HALDH1A1
SCHEMBL28950694 0.80 AMPD3 (0.40) MAPTL3MBTL1POLBSYKMAPK1
SCHEMBL30019063 0.80 ALDH1A1 (0.42) MAPTL3MBTL1POLBSYKMAPK1
SCHEMBL30019078 0.80 ALDH1A1 (0.42) MAPTL3MBTL1POLBSYKMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551862-B Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2024-04-12 CN disclosed
EP-4143189-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2023-03-08 EP disclosed
CN-115551862-A Macrocyclic inhibitors of peptidyl arginine deiminase 吉利德科学公司 2022-12-30 CN disclosed