SCHEMBL30255209

SCHEMBL30255209

C=C(C)C1CC[C@H](C)CC1=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C19 P33261 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
SCHEMBL727954 1.00 TLR4 (0.33) TLR4MEN1ALDH1A1KMT2ACYP2C19
SCHEMBL13910300 1.00 TLR4 (0.33) TLR4MEN1ALDH1A1KMT2ACYP2C19
SCHEMBL17067705 1.00 TLR4 (0.33) TLR4MEN1ALDH1A1KMT2ACYP2C19
SCHEMBL17067706 1.00 TLR4 (0.33) TLR4MEN1ALDH1A1KMT2ACYP2C19
SCHEMBL10028630 1.00 TLR4 (0.33) TLR4MEN1ALDH1A1KMT2ACYP2C19
SCHEMBL17067707 1.00 TLR4 (0.33) TLR4MEN1ALDH1A1KMT2ACYP2C19
SCHEMBL7741357 0.83 TLR4 (0.35) TLR4
SCHEMBL11825966 0.81 TLR4 (0.37) TLR4
SCHEMBL29595955 0.77 TLR4 (0.34) TLR4ALDH1A1
SCHEMBL29595225 0.77 TLR4 (0.34) TLR4ALDH1A1

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