SCHEMBL21345019

SCHEMBL21345019

COc1ccc(C(OCC(O)COC(=O)NCCCNC(=O)COC2CC(OC(C)=O)C(OC(C)=O)C(COC(C)=O)O2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.34
▸ CYP3A4 P08684 5/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CA12 O43570 6/20 0.33
▸ CA9 Q16790 6/20 0.33
▸ CA1 P00915 5/20 0.33
▸ CA2 P00918 4/20 0.33
▸ MAPT P10636 4/20 0.32
▸ CYP2C19 P33261 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ KMT2A Q03164 4/20 0.31
▸ MEN1 O00255 3/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ PTPN1 P18031 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
SCHEMBL21344781 0.91 LMNA (0.33) LMNACYP3A4CYP2D6HIF1ATSHR
SCHEMBL22886729 0.88 — —
SCHEMBL22855326 0.86 SLC6A1 (0.32) CYP3A4CYP2D6HIF1APTPN1
SCHEMBL22855701 0.85 LMNA (0.45) LMNACYP3A4CYP2D6TSHRCA12
SCHEMBL22830211 0.85 LMNA (0.36) LMNACYP3A4CYP2D6TSHRCA12
SCHEMBL21345093 0.83 — —
SCHEMBL21344947 0.81 CA2 (0.41) LMNACYP2D6TSHRCA12CA9
SCHEMBL22855465 0.81 CA2 (0.41) LMNACYP2D6TSHRCA12CA9
SCHEMBL21344783 0.79 KMT2A (0.40) CYP3A4CYP2D6HIF1ACYP2C19KMT2A
SCHEMBL22855491 0.79 KMT2A (0.40) CYP3A4CYP2D6HIF1ACYP2C19KMT2A

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
WO-2019172286-A1 THERAPEUTIC AGENT FOR GLYCOGEN STORAGE DISEASE TYPE IA 第一三共株式会社 2019-09-12 — — WO disclosed
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