SCHEMBL17253142

SCHEMBL17253142

CC(C)(C)OC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.46
USP30 Q70CQ3 2/20 0.44
AAK1 Q2M2I8 3/20 0.41
FFAR1 O14842 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
ALDH1A1 P00352 1/20 0.34
F2 P00734 1/20 0.34
F11 P03951 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
HIF1A Q16665 1/20 0.34
ROCK2 O75116 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
SCHEMBL15720308 0.83 DGAT1 (0.49) DGAT1USP30FFAR1GSK3AGSK3B
SCHEMBL30658717 0.82 USP30 (0.56) DGAT1USP30AAK1FFAR1PRMT5
SCHEMBL1912346 0.82 USP30 (0.56) DGAT1USP30AAK1FFAR1PRMT5
SCHEMBL1180889 0.79 USP30 (0.50) DGAT1USP30AAK1FFAR1PRMT5
SCHEMBL799138 0.79 USP30 (0.53) DGAT1USP30AAK1FFAR1PRMT5
SCHEMBL1180976 0.79 AAK1 (0.47) DGAT1USP30AAK1FFAR1PRMT5
SCHEMBL17253108 0.79 DGAT1 (0.41) DGAT1USP30AAK1FFAR1PRMT5
SCHEMBL21199515 0.78 DGAT1 (0.43) DGAT1USP30AAK1FFAR1PRMT5
SCHEMBL31583730 0.78 FFAR1 (0.40) DGAT1USP30AAK1FFAR1PRMT5
SCHEMBL17654360 0.77 AAK1 (0.50) DGAT1USP30AAK1FFAR1PRMT5

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-2023134629-A1 NUCLEAR TRANSPORT REGULATOR AND USE THEREOF 上海海雁医药科技有限公司 2023-07-20 WO disclosed
WO-2015170775-A1 SUBSTITUTED AZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES 日産化学工業株式会社 2015-11-12 WO disclosed