SCHEMBL29073288

SCHEMBL29073288

CC1(C)CCN(c2cc[c]c(OC3CCCCO3)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
PDE4B Q07343 1/20 0.30
L3MBTL3 Q96JM7 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9598271 0.74 PDE4B (0.35) HSD11B1PDE4BL3MBTL1
SCHEMBL7366055 0.73 DHFR (0.40) HSD11B1PDE4BL3MBTL1
SCHEMBL9599345 0.72 KDM4C (0.34) HSD11B1PDE4BL3MBTL1
SCHEMBL25368181 0.69 MAP4K1 (0.33) L3MBTL1
SCHEMBL29493817 0.69 MAP4K1 (0.33) L3MBTL1
SCHEMBL4722294 0.69 KDM4C (0.36)
SCHEMBL22667825 0.66 MAPT (0.47)
SCHEMBL29656929 0.66 ALDH1A1 (0.45) HSD11B1L3MBTL3L3MBTL1
SCHEMBL12466365 0.65 L3MBTL3 (0.56) L3MBTL3L3MBTL1
SCHEMBL3143426 0.65 ALDH1A1 (0.45) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116600801-A HSD17B13 inhibitors and uses thereof FL2022-001公司 2023-08-15 CN disclosed