SCHEMBL7922729

SCHEMBL7922729

CCOC(Cc1ccc(-c2ccccc2C=O)cc1)OC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.38
PPARG P37231 11/20 0.36
PPARA Q07869 9/20 0.36
PPARD Q03181 5/20 0.36
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
ERN1 O75460 2/20 0.33
MME P08473 2/20 0.33
MMEL1 Q495T6 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL7932743 0.84 PPARA (0.34) PPARGPPARAPPARDMMEMMEL1
SCHEMBL7929312 0.80 PTGS2 (0.41) XDHERN1
SCHEMBL13062964 0.78 XDH (0.44) XDH
SCHEMBL7922722 0.74 PPARA (0.43) PPARGPPARAPPARD
SCHEMBL6284038 0.73 XDH (0.45) XDHDRD2DRD4
SCHEMBL7929310 0.72 XDH (0.40) XDHDRD2DRD4ERN1FFAR1
SCHEMBL28009606 0.72 ERN1 (0.49) XDHERN1FFAR1FFAR4
SCHEMBL11768743 0.72 LMNA (0.60) XDHDRD2DRD4ERN1
SCHEMBL30497064 0.72 LMNA (0.60) XDHDRD2DRD4ERN1
SCHEMBL9652691 0.71 HSD11B1 (0.45) XDH

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