SCHEMBL18683434

SCHEMBL18683434

COc1ccc(C(NCCCCC(C)NC(=O)C(Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCC2c3ccccc3-c3ccccc32)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.42
▸ PTPN1 P18031 9/20 0.42
▸ CTSL P07711 2/20 0.41

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
SCHEMBL12475662 0.93 MDM2 (0.48) MDM2PTPN1CTSL
SCHEMBL12475679 0.93 MDM2 (0.48) MDM2PTPN1CTSL
SCHEMBL12683247 0.89 SSTR3 (0.47) MDM2PTPN1CTSL
SCHEMBL12476855 0.81 MDM2 (0.38) MDM2PTPN1CTSL
SCHEMBL13402819 0.81 MDM2 (0.59) MDM2
SCHEMBL29470876 0.81 MDM2 (0.59) MDM2
SCHEMBL19402725 0.81 MDM2 (0.59) MDM2
SCHEMBL29414971 0.81 MDM2 (0.59) MDM2
SCHEMBL29379713 0.81 MDM2 (0.59) MDM2
SCHEMBL29649478 0.81 SSTR3 (0.44) PTPN1CTSL

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-3147367-A1 SMALL MOLECULE CONJUGATES FOR INTRACELLULAR DELIVERY OF NUCLEIC ACIDS F. Hoffmann-La Roche AG (CH) 2017-03-29 — — EP disclosed
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