SCHEMBL7929312

SCHEMBL7929312

CCOC(OC)c1ccc(-c2ccccc2C=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.41
XDH P47989 1/20 0.39
ACHE P22303 8/20 0.38
BCHE P06276 6/20 0.38
ERN1 O75460 7/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL7922792 0.84 PTGS2 (0.39) PTGS2ACHEBCHE
SCHEMBL7922729 0.80 XDH (0.38) XDHERN1
SCHEMBL1376557 0.77 CHRNB2 (0.41) PTGS2ACHEBCHE
SCHEMBL7922724 0.76 XDH (0.37) PTGS2XDHERN1ALDH1A1LMNA
SCHEMBL2047680 0.76 PTGS2 (0.53) PTGS2ACHEBCHEALDH1A1
SCHEMBL5937063 0.74 TYR (0.48) XDHERN1ALDH1A1LMNA
SCHEMBL28009606 0.73 ERN1 (0.49) XDHERN1ALDH1A1LMNA
SCHEMBL5704661 0.73 L3MBTL1 (0.41) PTGS2ACHEBCHELMNACYP1A2
SCHEMBL11768743 0.73 LMNA (0.60) XDHERN1ALDH1A1LMNA
SCHEMBL30497064 0.73 LMNA (0.60) XDHERN1ALDH1A1LMNA

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