SCHEMBL22960902

SCHEMBL22960902

CCCCC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
DGAT1 O75907 1/20 0.36
LPL P06858 6/20 0.34
LIPG Q9Y5X9 6/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
USP30 Q70CQ3 2/20 0.33
UCHL1 P09936 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
SCD O00767 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
SCHEMBL141413 0.83 FFAR1 (0.52) FFAR1DGAT1GSK3AGSK3BUSP30
SCHEMBL22334710 0.82 FFAR1 (0.42) FFAR1DGAT1LPLLIPGGSK3A
SCHEMBL17165884 0.81 FFAR1 (0.45) FFAR1DGAT1LPLLIPGGSK3A
SCHEMBL1650157 0.80 FFAR1 (0.50) FFAR1DGAT1LPLLIPGGSK3A
SCHEMBL20733996 0.79 FFAR1 (0.45) FFAR1DGAT1GSK3AGSK3BUSP30
SCHEMBL1269464 0.76 FFAR1 (0.47) FFAR1DGAT1USP30PRMT5WDR77
SCHEMBL19341509 0.76 FFAR1 (0.44) FFAR1DGAT1USP30PRMT5WDR77
SCHEMBL19672040 0.76 FFAR1 (0.44) FFAR1DGAT1USP30PRMT5WDR77
SCHEMBL6644374 0.75 FFAR1 (0.43) FFAR1DGAT1LPLLIPGUSP30
SCHEMBL18202880 0.74 FFAR1 (0.43) FFAR1DGAT1USP30PRMT5WDR77

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-2021026451-A1 COMPOUNDS AND METHOD FOR TREATING CYTOKINE RELEASE SYNDROME RIGEL PHARMACEUTICALS, INC. (US) 2021-02-11 WO disclosed