SCHEMBL23360896

SCHEMBL23360896

CC(C)(C)OC(=O)n1cc(B2OCC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
USP30 Q70CQ3 2/20 0.38
ROCK2 O75116 1/20 0.35
SCD O00767 1/20 0.35
NR1H2 P55055 1/20 0.34
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
DGAT1 O75907 1/20 0.30

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
SCHEMBL23349424 0.88 SCD (0.38) FFAR1USP30ROCK2SCDNR1H2
SCHEMBL141413 0.87 FFAR1 (0.52) FFAR1USP30ROCK2SCDNR1H2
SCHEMBL23360827 0.83 FFAR1 (0.39) FFAR1
SCHEMBL24920359 0.81 ROCK2 (0.36) FFAR1USP30ROCK2SCDNR1H2
SCHEMBL25826104 0.81 FFAR1 (0.44) FFAR1USP30ROCK2SCDNR1H2
SCHEMBL19341509 0.81 FFAR1 (0.44) FFAR1USP30ROCK2SCDNR1H2
SCHEMBL18202880 0.80 FFAR1 (0.43) FFAR1USP30ROCK2SCDNR1H2
SCHEMBL20733996 0.80 FFAR1 (0.45) FFAR1USP30ROCK2SCDNR1H2
SCHEMBL19672040 0.79 FFAR1 (0.44) FFAR1USP30ROCK2SCDNR1H2
SCHEMBL19964091 0.78 FFAR1 (0.40) FFAR1USP30ROCK2SCDNR1H2

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
WO-2021093795-A1 ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 武汉朗来科技发展有限公司 2021-05-20 WO disclosed
CN-103080101-A Piperidinyl-substituted lactams as GPR119 modulators ARRAY BIOPHARMA INC 2013-05-01 CN disclosed