SCHEMBL5300752

SCHEMBL5300752

C=C(Cc1ccc(OCc2ccccc2)cc1)C(=O)OCC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.61
NR1H4 Q96RI1 1/20 0.61
ALDH1A1 P00352 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 1/20 0.56
LTB4R Q15722 1/20 0.54
LTB4R2 Q9NPC1 1/20 0.54
MAOB P27338 1/20 0.51
EGFR P00533 2/20 0.51
ADAM17 P78536 1/20 0.50
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50

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
SCHEMBL394740 0.87 ALDH1A1 (0.56) NR1H4ALDH1A1L3MBTL1
SCHEMBL8208242 0.86 ALOX5 (0.59) ALOX5ALDH1A1LTB4RLTB4R2MAOB
SCHEMBL5349028 0.86 NR1H4 (0.64) ALOX5NR1H4ALDH1A1L3MBTL1LMNA
SCHEMBL1203178 0.83 ALOX5 (0.67) ALOX5NR1H4ALDH1A1L3MBTL1LMNA
Dimethylamine SCHEMBL28428235 0.83 ALDH1A1 (0.51) ALDH1A1L3MBTL1
SCHEMBL6169826 0.83 ALOX5 (0.61) ALOX5L3MBTL1LMNALTB4RLTB4R2
SCHEMBL7367996 0.81 LMNA (0.51) ALDH1A1L3MBTL1LMNA
SCHEMBL27883993 0.80 ALDH1A1 (0.69) NR1H4ALDH1A1L3MBTL1LMNAMAOB
SCHEMBL7692787 0.80 HTT (0.51) ALDH1A1L3MBTL1LMNA
SCHEMBL5803357 0.79 CA2 (0.49) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007008037-A1 NOVEL CHROMEN-2-ONE BASED HYDROXAMIC ACID DERIVATIVES HAVING ANTI-INFLAMMATORY ACTIVITY, THE PREPARATION THEREOF AND A COMPOSITION CONTAINING THE SAME FOR TREATING INFLAMMATORY DISEASE JEIL PHARMACEUTICAL CO., LTD. (KR) 2007-01-18 WO disclosed
US-6043257-A ANTICOAGULANT; PYRIDINE SUBSTITUTED INDAZOLE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-03-28 US disclosed
EP-0960102-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN Du Pont Pharmaceuticals Company (US) 1999-12-01 EP disclosed
US-5886191-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-23 US disclosed
WO-1998001428-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN DU PONT PHARMACEUTICALS COMPANY (US) 1998-01-15 WO disclosed