SCHEMBL30638641

SCHEMBL30638641

CCOC(=O)c1cc(OC[C@H](C)NC(=O)OC(C)(C)C)cnc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.40
ALDH1A1 P00352 3/20 0.39
AAK1 Q2M2I8 4/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 3/20 0.38
TP53 P04637 1/20 0.36
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
ALOX12 P18054 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL26660309 1.00 ABCB1 (0.40) ABCB1ALDH1A1AAK1ALOX15KDM4E
SCHEMBL26660304 1.00 ABCB1 (0.40) ABCB1ALDH1A1AAK1ALOX15KDM4E
SCHEMBL9113414 0.83 AAK1 (0.42) ABCB1AAK1TP53
SCHEMBL26660235 0.79 ATR (0.44) AAK1CA1CA2TRPA1
SCHEMBL30638620 0.79 ATR (0.44) AAK1CA1CA2TRPA1
SCHEMBL26660240 0.79 ATR (0.44) AAK1CA1CA2TRPA1
SCHEMBL26660263 0.79 AAK1 (0.40) ABCB1ALDH1A1AAK1KDM4EHPGD
SCHEMBL26660268 0.79 AAK1 (0.40) ABCB1ALDH1A1AAK1KDM4EHPGD
SCHEMBL30638633 0.78 KDM4E (0.45) ALDH1A1ALOX15KDM4EHPGD
SCHEMBL26102468 0.77 ABCB1 (0.40) ABCB1ALDH1A1AAK1KDM4ETP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4522592-A1 ALKOXY HETEROARYL- CARBOXAMIDE OR THIOAMIDE COMPOUNDS Syngenta Crop Protection AG (CH) 2025-03-19 EP disclosed
CN-119301098-A Alkoxyheteroaryl-carboxamide or thioamide compounds 先正达农作物保护股份公司 2025-01-10 CN disclosed
WO-2023217989-A1 ALKOXY HETEROARYL- CARBOXAMIDE OR THIOAMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-11-16 WO disclosed