SCHEMBL30863839

SCHEMBL30863839

Cc1cc(=O)c(C(C)C)cc2c1CCC2C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 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
SCHEMBL30863838 1.00 UGT2B17 (0.32) UGT2B17LMNAGAA
SCHEMBL412687 0.72 UGT2B17 (0.56) UGT2B17
SCHEMBL20368645 0.69 HTR2A (0.44) UGT2B17
SCHEMBL9998954 0.66
SCHEMBL14543582 0.65 UGT2B17 (0.44) UGT2B17
SCHEMBL22282306 0.64 NLRP3 (0.30)
SCHEMBL413037 0.61 ADRA2A (0.49)
SCHEMBL414118 0.61 KDM4E (0.42)
SCHEMBL19965486 0.61 HTR2A (0.30)
SCHEMBL21803725 0.60 DRD2 (0.38) UGT2B17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117843655-B Sesquiterpene derivative and preparation method and application thereof 沈阳药科大学 2025-06-13 CN disclosed
CN-117843655-A Sesquiterpene derivative and preparation method and application thereof 沈阳药科大学 2024-04-09 CN disclosed