SCHEMBL23394602

SCHEMBL23394602

CC(=O)NC1C(OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(COC(=O)c2ccccc2)O[C@H]1OCCCCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CYP2C9 P11712 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ POLB P06746 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ USP2 O75604 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ PTPN1 P18031 3/20 0.41
▸ LGALS8 O00214 1/20 0.39
▸ LGALS3 P17931 1/20 0.39
▸ LGALS4 P56470 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ GAPDH P04406 1/20 0.38
▸ TMPRSS2 O15393 1/20 0.38
▸ PDE5A O76074 1/20 0.38

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
SCHEMBL14878521 1.00 LMNA (0.50) LMNAKMT2ACYP2C9CYP3A4MAPT
SCHEMBL12248478 0.93 LMNA (0.50) LMNAKMT2ACYP2C9CYP3A4MAPT
SCHEMBL19786845 0.92 LMNA (0.53) LMNAKMT2ACYP2C9CYP3A4MAPT
SCHEMBL13447791 0.92 LMNA (0.51) LMNAKMT2ACYP2C9CYP3A4MAPT
SCHEMBL13367679 0.92 MAPK1 (0.49) LMNAKMT2ACYP2C9CYP3A4MAPT
SCHEMBL13117380 0.91 LMNA (0.50) LMNAKMT2ACYP2C9CYP3A4MAPT
SCHEMBL15592313 0.91 LMNA (0.50) LMNAKMT2ACYP2C9CYP3A4MAPT
SCHEMBL17850335 0.91 LMNA (0.50) LMNAKMT2ACYP2C9CYP3A4MAPT
SCHEMBL24997212 0.91 LMNA (0.50) LMNAKMT2ACYP2C9CYP3A4MAPT
SCHEMBL12248448 0.91 LMNA (0.50) LMNAKMT2ACYP2C9CYP3A4MAPT

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
US-11015194-B2 iRNA agents with biocleavable tethers ALNYLAM PHARMACEUTICALS, INC. (US) 2021-05-25 — — US disclosed
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