SCHEMBL21158784

SCHEMBL21158784

CCCn1c(NC(=O)c2ccc(C)nc2CC)nc2cc(C(=O)OC)cc(OCCC3COC3)c21

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.48
IRF3 Q14653 1/20 0.40

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
SCHEMBL21158785 0.93 STING1 (0.48) STING1
SCHEMBL21158742 0.93 STING1 (0.57) STING1
SCHEMBL21158914 0.84 STING1 (0.67) STING1IRF3
SCHEMBL21158735 0.82 STING1 (0.60) STING1
SCHEMBL21158986 0.80 STING1 (0.43) STING1IRF3
SCHEMBL21158660 0.80 STING1 (0.63) STING1
SCHEMBL21158787 0.79 STING1 (0.41) STING1
SCHEMBL21158657 0.79 STING1 (0.62) STING1
SCHEMBL21158915 0.77 STING1 (0.68) STING1
SCHEMBL21158756 0.77 STING1 (0.67) STING1

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-110016021-B Immunomodulator 成都先导药物开发股份有限公司 2021-05-07 CN disclosed
WO-2019134707-A1 IMMUNOMODULATOR 成都先导药物开发股份有限公司 2019-07-11 WO disclosed