SCHEMBL30255231

SCHEMBL30255231

CN(C)/C=C1/COC(C)(C)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL7547008 0.77 ALDH1A1 (0.36) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7547003 0.77 ALDH1A1 (0.36) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7546297 0.71 ALDH1A1 (0.46) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19332329 0.70 MEN1 (0.35) MAPTSMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL29079127 0.70 MEN1 (0.35) MAPTSMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL26617736 0.68 MAPT (0.33) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL26617731 0.68 MAPT (0.33) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL17887331 0.67 MAPT (0.41) MAPTALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL24185565 0.65 MEN1 (0.33) MAPTKMT2AMEN1L3MBTL1KDM4E
SCHEMBL2730136 0.65 MEN1 (0.33) MAPTKMT2AMEN1L3MBTL1KDM4E

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
EP-4402126-A1 AHR AGONISTS Eli Lilly and Company (US) 2024-07-24 EP disclosed
CN-118215654-A AHR agonists 伊莱利利公司 2024-06-18 CN disclosed
WO-2023039278-A1 AHR AGONISTS ELI LILLY AND COMPANY (US) 2023-03-16 WO disclosed