SCHEMBL21887494

SCHEMBL21887494

CC1(S)CC(C)(S)C2CCCCCCCCCCCCCCCC1C2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.30
CHRNB4 P30926 4/20 0.30
CHRNA3 P32297 4/20 0.30
CHRNA7 P36544 4/20 0.30
CHRNA4 P43681 4/20 0.30
CHRNA1 P02708 3/20 0.30
CHRNG P07510 3/20 0.30
CHRNB1 P11230 3/20 0.30
CHRND Q07001 3/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
PKM P14618 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30
THPO P40225 1/20 0.30
CHRNE Q04844 1/20 0.30
CHRNA2 Q15822 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
SCHEMBL25128703 0.64
SCHEMBL31096395 0.64
SCHEMBL30688455 0.64
SCHEMBL2386824 0.64
SCHEMBL1496237 0.64
SCHEMBL23267825 0.62 LIPA (0.37)
SCHEMBL23256057 0.62 LIPA (0.37)
SCHEMBL23266167 0.62 LIPA (0.37)
SCHEMBL22591947 0.61
SCHEMBL23330023 0.60

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
WO-2020065408-A1 SULFOMALEIMIDE-BASED LINKERS AND CORRESPONDING CONJUGATES PIERRE FABRE MEDICAMENT (FR) 2020-04-02 WO disclosed