SCHEMBL13839617

SCHEMBL13839617

CC(C)c1ccccc1OP(Oc1ccccc1C(C)C)Oc1cccc2c1C(=O)c1c(OP(Oc3ccccc3C(C)C)Oc3ccccc3C(C)C)cccc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KCNA3 P22001 1/20 0.40
▸ EGFR P00533 3/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ DPP4 P27487 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ TTR P02766 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ PABPC1 P11940 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
SCHEMBL14424022 0.90 ELANE (0.35) ELANEKMT2ALMNAKCNA3EGFR
SCHEMBL13839604 0.85 NPC1 (0.43) ELANELMNANPC1L3MBTL1
SCHEMBL13839595 0.83 KMT2A (0.38) KMT2ALMNADPP4NR1H2NR1H3
SCHEMBL2603176 0.81 KMT2A (0.41) KMT2ALMNADPP4NR1H2NR1H3
SCHEMBL2861909 0.80 GABRA1 (0.43) KMT2ALMNAMEN1ALDH1A1L3MBTL1
SCHEMBL29636737 0.80 GABRA1 (0.43) KMT2ALMNAMEN1ALDH1A1L3MBTL1
SCHEMBL13839610 0.80 EGFR (0.54) ELANEKMT2ALMNAEGFRPIM1
SCHEMBL13839600 0.80 ELANE (0.49) ELANEKMT2ALMNAKCNA3EGFR
SCHEMBL9418880 0.78 DPP4 (0.36) KMT2ALMNADPP4NR1H2NR1H3
SCHEMBL13839613 0.78 KCNA3 (0.51) ELANEKMT2ALMNAKCNA3EGFR

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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