SCHEMBL7246792

SCHEMBL7246792

Cc1cc(CCC(=O)NCCNC(=O)CCc2cc(C)c(O)c(C(C)C)c2)cc(C(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ THRA P10827 2/20 0.45
▸ THRB P10828 2/20 0.45
▸ TRPA1 O75762 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ GABRA2 P47869 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ GABRA4 P48169 1/20 0.38
▸ GABRA6 Q16445 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL6831051 0.86 THRA (0.45) KMT2AGAATHRATHRBTRPA1
SCHEMBL9556774 0.82 TRPA1 (0.49) KMT2AGAATHRATHRBTRPA1
SCHEMBL7240187 0.80 HPGD (0.57) KMT2AGAAMEN1HPGD
SCHEMBL9419805 0.79 PYGL (0.54) KMT2AGAALMNAMEN1HPGD
SCHEMBL27261832 0.77 TRPA1 (0.50) KMT2AGAATHRATHRBTRPA1
SCHEMBL1149855 0.77 GAA (0.72) KMT2AGAAALDH1A1LMNAMEN1
SCHEMBL11800378 0.77 HPGD (0.56) KMT2AGAAMEN1HPGDPOLB
SCHEMBL9181982 0.76 GABRA1 (0.54) THRATHRBTRPA1GABRA1GABRB1
SCHEMBL7237108 0.76 THRA (0.44) KMT2ATHRATHRBTRPA1LMNA
SCHEMBL9422308 0.76 GAA (0.59) KMT2AGAATHRATHRBTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465955-B1 Method of elevating the auto-ignition temperature of inorganic oxide particulate GRACE GMBH & CO KG (DE) 2015-09-09 — — EP disclosed
US-8410197-B2 Inorganic oxide particulate comprising at least 10% by weight organic material; the particulate at a given volume has an auto-ignition temperature which is at least 20 degrees C. higher than that of a base particulate W. R. GRACE & CO. -CONN. (US) 2013-04-02 — — US disclosed
US-20030060554-A1 Organic-containing particulate having elevated auto-ignition temperatures GRACE GMBH & CO. KG. (DE) 2003-03-27 — — US disclosed
EP-0469331-B1 Process for preparing organic esters and amides and catalyst system therefor MONTELL NORTH AMERICA INC (US) 1996-09-11 — — EP disclosed
US-5136082-A PROCESS FOR PREPARING ORGANIC ESTERS AND AMIDES AND CATALYST SYSTEM THEREFOR HIMONT INCORPORATED (US) 1992-08-04 — — US disclosed
EP-0469331-A1 Process for preparing organic esters and amides and catalyst system therefor MONTELL NORTH AMERICA INC. (US) 1992-02-05 — — EP disclosed
US-4228297-A Process for the production of hydroxyalkylphenyl derivatives CIBA-GEIGY CORPORATION (US) 1980-10-14 — — US disclosed
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