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SCHEMBL19507901

SCHEMBL19507901

CC(C)c1cc(F)cc(C(C)CCC(C)c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cccc(C(C)(C)O)c2F)c1CC(=O)NS(=O)(=O)c1ccc(F)c(C(C)(C)O)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 16/20 0.43
▸ SOAT2 O75908 1/20 0.38
▸ MYC P01106 1/20 0.38
▸ SOAT1 P35610 1/20 0.38
▸ MAP2K3 P46734 1/20 0.38
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL19507900 0.89 NLRP3 (0.52) NLRP3SOAT2MYCSOAT1MAP2K3
SCHEMBL19507896 0.89 NLRP3 (0.47) NLRP3SOAT2MYCSOAT1MAP2K3
SCHEMBL19507302 0.86 NLRP3 (0.42) NLRP3SOAT2MYCSOAT1MAP2K3
SCHEMBL19507111 0.81 NLRP3 (0.52) NLRP3SOAT2MYCSOAT1MAP2K3
SCHEMBL19508147 0.80 NLRP3 (0.38) NLRP3SOAT2MYCSOAT1MAP2K3
SCHEMBL19507298 0.80 NLRP3 (0.51) NLRP3SOAT2MYCSOAT1MAP2K3
SCHEMBL19507301 0.80 NLRP3 (0.46) NLRP3SOAT2MYCSOAT1MAP2K3
SCHEMBL19507893 0.78 NLRP3 (0.51) NLRP3SOAT2MYCSOAT1MAP2K3
SCHEMBL19507107 0.77 NLRP3 (0.55) NLRP3SOAT2MYCSOAT1MAP2K3
SCHEMBL19508020 0.77 NLRP3 (0.49) NLRP3SOAT2MYCSOAT1MAP2K3

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-2017184604-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM THERAPEUTICS, INC (US) 2017-10-26 — — WO disclosed