SCHEMBL31330130

SCHEMBL31330130

CC(C)[C@H](NC(=O)COCCOCCNC(=O)O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CI)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 10/20 0.41
▸ C3AR1 Q16581 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ IL23R Q5VWK5 2/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ NPY1R P25929 1/20 0.35

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
SCHEMBL30988377 0.85 FURIN (0.42) FURINC3AR1HTTSMN1; SMN2SIRT2
SCHEMBL30988364 0.85 FURIN (0.42) FURINC3AR1HTTSMN1; SMN2SIRT2
SCHEMBL30988370 0.85 FURIN (0.41) FURINC3AR1HTTSMN1; SMN2
SCHEMBL21179855 0.84 C3AR1 (0.41) FURINC3AR1HTTSMN1; SMN2NPY1R
SCHEMBL30988386 0.84 FURIN (0.42) FURINC3AR1HTTSMN1; SMN2SIRT2
SCHEMBL28604524 0.83 FURIN (0.41) FURINC3AR1NPY1R
SCHEMBL28604515 0.83 FURIN (0.41) FURINC3AR1NPY1R
SCHEMBL20158425 0.82 FURIN (0.39) FURINC3AR1HTTSMN1; SMN2IL23R
SCHEMBL31045324 0.81 FAP (0.40) FURINHTTSMN1; SMN2SIRT2SIRT1
SCHEMBL31045407 0.81 FAP (0.40) FURINHTTSMN1; SMN2SIRT2SIRT1

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-2025012756-A1 AMPHIPHILIC TLR7/8 ADJUVANTS AND USES THEREOF PFIZER INC. (US) 2025-01-16 — — WO disclosed
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