SCHEMBL29124139

SCHEMBL29124139

C=CCO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GPR119 Q8TDV5 2/20 0.39
▸ RECQL P46063 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ NR1H2 P55055 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL29124143 1.00 MAPT (0.39) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL29124148 0.88 ALDH1A1 (0.38) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL29124147 0.88 ALDH1A1 (0.38) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL25785186 0.82 HPGD (0.43) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL18689925 0.82 PRMT5 (0.46) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL31279449 0.82 PRMT5 (0.46) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL8486518 0.79 NR1H2 (0.43) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL851066 0.79 NR1H2 (0.43) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL1733959 0.79 HPGD (0.48) MAPTHPGDGPR119RECQLEPHX1
SCHEMBL24826714 0.77 RECQL (0.41) MAPTALDH1A1MEN1KMT2AHPGD

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-117229289-A Preparation and application of EGFR inhibitor with macrocyclic structure 药雅科技(上海)有限公司 2023-12-15 — — CN disclosed
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