SCHEMBL23489982

SCHEMBL23489982

CC(C)(C)OC(=O)N1CCC(NC(=O)OC2CCN(c3cnn(C4CCCCO4)c(=O)c3Cl)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ NPBWR1 P48145 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ POLB P06746 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ USP30 Q70CQ3 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
SCHEMBL23462475 1.00 LMNA (0.40) LMNAEPHX1NPBWR1MCHR1MEN1
SCHEMBL23490342 0.93 DRD2 (0.38) LMNANPBWR1MCHR1
SCHEMBL23489791 0.89 EPHX1 (0.37) LMNAEPHX1POLBALDH1A1
SCHEMBL23489800 0.89 EPHX1 (0.37) LMNAEPHX1POLBALDH1A1
SCHEMBL23462340 0.89 JAK3 (0.35) LMNANPBWR1MCHR1
SCHEMBL23490340 0.86 SMYD3 (0.34) LMNAEPHX1POLBALDH1A1
SCHEMBL23462554 0.85 L3MBTL1 (0.31) LMNAPOLBALDH1A1
SCHEMBL23462555 0.82 L3MBTL1 (0.31) —
SCHEMBL23462522 0.81 L3MBTL1 (0.30) LMNAPOLBALDH1A1
SCHEMBL23490329 0.79 POLB (0.42) EPHX1NPBWR1MCHR1POLBALDH1A1

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-2021113625-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2021-06-10 — — WO disclosed
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