SCHEMBL29934233

SCHEMBL29934233

COc1ccc(C(OC[C@H]2O[C@@H](OCCCNC(=O)CCCNC(=O)OCC(O)COC(=O)NCCCC(=O)NCCCO[C@@H]3O[C@H](COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3NC(C)=O)[C@H](NC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPT P10636 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ MMP12 P39900 3/20 0.34
▸ MMP9 P14780 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL22855324 0.94 LMNA (0.40) LMNAKMT2AMAPTCYP3A4CYP2C19
SCHEMBL22855532 0.88 LMNA (0.38) LMNAKMT2AMAPTCYP3A4CYP2C19
SCHEMBL22855701 0.87 LMNA (0.45) LMNAKMT2AMAPTCYP3A4CYP2C19
SCHEMBL22830069 0.86 LMNA (0.31) LMNAMAPTCYP3A4CYP2C19ALDH1A1
SCHEMBL22855721 0.86 LMNA (0.41) LMNAKMT2AMAPTCYP3A4CYP2C19
SCHEMBL22855492 0.85 LMNA (0.41) LMNAKMT2AMAPTCYP3A4CYP2C19
SCHEMBL29929081 0.84 LMNA (0.46) LMNAKMT2AMAPTCYP3A4CYP2C19
SCHEMBL22830105 0.83 LMNA (0.31) LMNAMAPTCYP3A4CYP2C19ALDH1A1
SCHEMBL16392657 0.83 LMNA (0.40) LMNAKMT2AMAPTCYP3A4CYP2C19
SCHEMBL24699867 0.83 TNF (0.41) LMNAKMT2AMAPTCYP3A4CYP2C19

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
EP-4029520-A1 GALNAC-OLIGONUCLEOTIDE CONJUGATE FOR LIVER-TARGETED DELIVERY USE, AND METHOD FOR PRODUCING SAME Daiichi Sankyo Company, Limited (JP) 2022-07-20 — — EP disclosed
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