SCHEMBL28254657

SCHEMBL28254657

CC(C)(C)C(=O)ON1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
USP30 Q70CQ3 2/20 0.38
DGAT1 O75907 1/20 0.38
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
ACHE P22303 3/20 0.32
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
CCNC P24863 1/20 0.30
CDK8 P49336 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
SCHEMBL1581816 0.91 FFAR1 (0.41) FFAR1USP30DGAT1DDB1CRBN
SCHEMBL320828 0.84 USP30 (0.52) FFAR1USP30DDB1CRBNBACE1
SCHEMBL2515083 0.83 FFAR1 (0.47) FFAR1USP30DGAT1
SCHEMBL25810563 0.81 FFAR1 (0.43) FFAR1USP30DGAT1DDB1CRBN
SCHEMBL320321 0.81 FFAR1 (0.42) FFAR1USP30DDB1CRBNACHE
SCHEMBL658691 0.81 FFAR1 (0.42) FFAR1CDK8
SCHEMBL25238268 0.81 USP30 (0.49) FFAR1USP30DDB1CRBNCCNC
SCHEMBL16876545 0.80 FFAR1 (0.44) FFAR1USP30DGAT1DDB1CRBN
SCHEMBL2422527 0.80 USP30 (0.55) FFAR1USP30DDB1CRBNCCNC
SCHEMBL2423601 0.80 USP30 (0.55) FFAR1USP30DDB1CRBNCCNC

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
CN-104059054-B Three-level cyclic amine ALK kinase inhibitor for treating cancer 浙江导明医药科技有限公司 2018-11-20 CN disclosed