SCHEMBL18895313

SCHEMBL18895313

CC(C(N)=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
F11 P03951 4/20 0.35
F2 P00734 3/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
SYK P43405 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
DGAT1 O75907 1/20 0.32
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA9 Q16790 4/20 0.32
CA12 O43570 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL17352230 0.87 FFAR1 (0.48) FFAR1F11F2PRSS1PRSS2
SCHEMBL15514629 0.87 FFAR1 (0.48) FFAR1F11F2PRSS1PRSS2
SCHEMBL1330994 0.84 FFAR1 (0.48) FFAR1SMN1; SMN2DGAT1CA1CA2
SCHEMBL3663499 0.84 FFAR1 (0.45) FFAR1SMN1; SMN2DGAT1CA1CA2
SCHEMBL25251426 0.82 FFAR1 (0.43) FFAR1SMN1; SMN2DGAT1USP30RXFP1
SCHEMBL1712762 0.82 FFAR1 (0.46) FFAR1SMN1; SMN2DGAT1USP30
SCHEMBL17005480 0.81 FFAR1 (0.52) FFAR1F11DGAT1
SCHEMBL17801161 0.81 FFAR1 (0.48) FFAR1F11F2PRSS1PRSS2
SCHEMBL875957 0.81 FFAR1 (0.51) FFAR1CA1CA2CA9CA12
SCHEMBL30062308 0.80 FFAR1 (0.41) FFAR1F11F2PRSS1PRSS2

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
EP-3380469-A1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2018-10-03 EP disclosed
WO-2017091661-A1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF STROVEL JEFFREY WILLIAM (US) 2017-06-01 WO disclosed