SCHEMBL13839579

SCHEMBL13839579

Cc1ccc(C(C)C)c(OP(Oc2cc(C)ccc2C(C)C)Oc2cccc3c2C(=O)c2c(cccc2OP(Oc2cc(C)ccc2C(C)C)Oc2cc(C)ccc2C(C)C)C3)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ATM Q13315 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL13839595 0.86 KMT2A (0.38) LMNAL3MBTL1MEN1KMT2ATSHR
SCHEMBL13839604 0.85 NPC1 (0.43) LMNAL3MBTL1NPC1POLBTSHR
SCHEMBL13839623 0.81 ATM (0.38) LMNAL3MBTL1ATMMEN1KMT2A
SCHEMBL3961009 0.78 LMNA (0.48) LMNAL3MBTL1TSHRNPSR1
SCHEMBL11680961 0.77 LMNA (0.47) LMNAL3MBTL1TSHRNPSR1
SCHEMBL13839572 0.76 KMT2A (0.41) L3MBTL1MEN1KMT2ANPC1TSHR
SCHEMBL13839587 0.73 MEN1 (0.41) L3MBTL1MEN1KMT2ANPC1TSHR
SCHEMBL13839478 0.73 LMNA (0.51) LMNAL3MBTL1MEN1KMT2ANPC1
SCHEMBL13839585 0.72 MEN1 (0.37) LMNAL3MBTL1MEN1KMT2ATSHR
SCHEMBL13839592 0.72 MEN1 (0.42) L3MBTL1MEN1KMT2ATSHR

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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