SCHEMBL13839604

SCHEMBL13839604

Cc1ccc(C(C)C)c(OP(Oc2cc(C)ccc2C(C)C)Oc2cccc3c2C(=O)c2c(OP(Oc4cc(C)ccc4C(C)C)Oc4cc(C)ccc4C(C)C)cccc2C3=O)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ELANE P08246 3/20 0.40
▸ POLB P06746 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GPR84 Q9NQS5 1/20 0.37

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
SCHEMBL13839617 0.85 ELANE (0.40) NPC1LMNAL3MBTL1ELANE
SCHEMBL13839579 0.85 LMNA (0.39) NPC1LMNAL3MBTL1POLBTSHR
SCHEMBL3961009 0.80 LMNA (0.48) LMNAL3MBTL1TSHRNPSR1
SCHEMBL11680961 0.79 LMNA (0.47) LMNAL3MBTL1TSHRNPSR1
SCHEMBL14424022 0.77 ELANE (0.35) NPC1LMNAELANE
SCHEMBL13839600 0.75 ELANE (0.49) NPC1LMNAL3MBTL1ELANETSHR
SCHEMBL13839478 0.75 LMNA (0.51) NPC1LMNAL3MBTL1
SCHEMBL2603664 0.73 MAPT (0.43) NPC1LMNAL3MBTL1POLBTSHR
SCHEMBL13839457 0.72 LMNA (0.42) NPC1LMNAL3MBTL1POLBTSHR
SCHEMBL13839610 0.72 EGFR (0.54) NPC1LMNAELANEHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531682-B2 Method for making nitrile compounds from ethylenically unsaturated compounds RHODIA POLYAMIDE INTERMEDIATES (FR) 2009-05-12 — — US disclosed
US-7531682-B2 Method for making nitrile compounds from ethylenically unsaturated compounds RHODIA POLYAMIDE INTERMEDIATES (FR) 2009-05-12 — — US disclosed
US-7253298-B2 Hydrocyanating an unsaturated aliphatic nitrile, or a linear pentenenitrile in a liquid medium with hydrogen cyanide in the presence of a Nickel catalyst with an triaryl phosphite ligand; isomerization RHODIA POLYAMIDE INTERMEDIATES (FR) 2007-08-07 — — US disclosed
US-7253298-B2 Hydrocyanating an unsaturated aliphatic nitrile, or a linear pentenenitrile in a liquid medium with hydrogen cyanide in the presence of a Nickel catalyst with an triaryl phosphite ligand; isomerization RHODIA POLYAMIDE INTERMEDIATES (FR) 2007-08-07 — — US disclosed
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