SCHEMBL29619690

SCHEMBL29619690

OCCC(CCO)c1cc(F)c(F)cc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.41
NPC1 O15118 1/20 0.41
PTGER1 P34995 1/20 0.40
S1PR5 Q9H228 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
LIPE Q05469 1/20 0.39
KDM1A O60341 3/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP28 Q96RU2 1/20 0.38
USP25 Q9UHP3 1/20 0.38
CTSV O60911 2/20 0.38
CTSL P07711 2/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL23295193 1.00 MRGPRX4 (0.41) MRGPRX4NPC1PTGER1S1PR5CYP4F2
SCHEMBL23213368 0.94 MRGPRX4 (0.38) MRGPRX4NPC1PTGER1S1PR5CYP4F2
SCHEMBL29619704 0.84 SLC6A9 (0.45) MRGPRX4NPC1PTGER1S1PR5LIPE
SCHEMBL29619701 0.84 SLC6A9 (0.42) MRGPRX4NPC1PTGER1CYP4F2CYP4A11
SCHEMBL23209843 0.84 SLC6A9 (0.42) MRGPRX4NPC1PTGER1CYP4F2CYP4A11
SCHEMBL23210176 0.84 SLC6A9 (0.45) MRGPRX4NPC1PTGER1S1PR5LIPE
SCHEMBL31357720 0.82 LTA4H (0.40) MRGPRX4NPC1PTGER1S1PR5CYP4F2
SCHEMBL23212925 0.82 SLC6A9 (0.43) MRGPRX4NPC1PTGER1LIPEMAPT
SCHEMBL23213167 0.81 KEAP1 (0.43) MRGPRX4MAPTLMNA
SCHEMBL23210255 0.80 SGMS2 (0.48) LIPEMAPTMAPK1TDP1L3MBTL1

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-119390705-A 5-Oxa-2-azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2025-02-07 CN disclosed
CN-114555606-B 5-Oxa-2-azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2024-10-01 CN disclosed
CN-114555606-A 5-oxa-2-azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2022-05-27 CN disclosed