SCHEMBL13839664

SCHEMBL13839664

CC(C)c1ccccc1OP(Oc1ccccc1C(C)C)Oc1ccccc1P(=O)(c1ccccc1)c1ccccc1OP(Oc1ccccc1C(C)C)Oc1ccccc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.36
KMT2A Q03164 6/20 0.35
MEN1 O00255 3/20 0.35
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
HIF1A Q16665 1/20 0.31

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
SCHEMBL13839646 0.87 LMNA (0.44) ALDH1A1NPSR1L3MBTL1KMT2AMEN1
SCHEMBL13839642 0.81 POLB (0.44) ALDH1A1HTTPOLBNPSR1L3MBTL1
SCHEMBL13839653 0.81 KMT2A (0.47) ALDH1A1HTTPOLBNPSR1L3MBTL1
SCHEMBL13839657 0.80 ALDH1A1 (0.46) ALDH1A1HTTPOLBNPSR1L3MBTL1
SCHEMBL2861909 0.79 GABRA1 (0.43) ALDH1A1L3MBTL1KMT2AMEN1LMNA
SCHEMBL29636737 0.79 GABRA1 (0.43) ALDH1A1L3MBTL1KMT2AMEN1LMNA
SCHEMBL134288 0.78 ALDH1A1 (0.42) ALDH1A1HTTPOLBNPSR1L3MBTL1
SCHEMBL13839644 0.77 NPSR1 (0.51) ALDH1A1HTTPOLBNPSR1KMT2A
SCHEMBL13839643 0.77 HTT (0.43) ALDH1A1HTTPOLBNPSR1L3MBTL1
SCHEMBL13839650 0.76 ALDH1A1 (0.40) ALDH1A1HTTPOLBNPSR1L3MBTL1

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