SCHEMBL7922792

SCHEMBL7922792

CCOC(OC)c1ccc(-c2ccccc2/C=C/I)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.39
ACHE P22303 7/20 0.39
BCHE P06276 6/20 0.39
PTGER1 P34995 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL7929312 0.84 PTGS2 (0.41) PTGS2ACHEBCHE
SCHEMBL7932743 0.81 PPARA (0.34)
SCHEMBL7932749 0.77 PTGER1 (0.30) PTGER1PTGER3PTGER2
SCHEMBL7932741 0.77 PTGER1 (0.30) PTGER1PTGER3PTGER2
SCHEMBL7930959 0.76 RARB (0.39) PTGS2ACHEBCHE
SCHEMBL8176887 0.75 PTPRC (0.35) PTGS2ACHEBCHERAB9A
SCHEMBL1376557 0.75 CHRNB2 (0.41) PTGS2ACHEBCHE
SCHEMBL7929362 0.72 FYN (0.38) ACHEBACE1
SCHEMBL7929366 0.72 FYN (0.38) ACHEBACE1
SCHEMBL5704661 0.71 L3MBTL1 (0.41) PTGS2ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0879814-B1 Triaromatic compounds, compositions containing them and uses thereof CT INTERNAT DE BR RECH S DERMA (FR) 2001-11-28 EP disclosed
US-6150413-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS; 4-(4-(BIPHENYL-2-YL)BUT-3-EN-1-YNYL)BENZOIC ACID, FOR EXAMPLE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2000-11-21 US disclosed
EP-0879814-A1 Triaromatic compounds, compositions containing them and uses thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-11-25 EP disclosed