SCHEMBL7922724

SCHEMBL7922724

CCOCOC(C)c1ccc(-c2ccccc2C=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.37
GRIA4 P48058 2/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DRD1 P21728 2/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ERN1 O75460 3/20 0.31
TSHR P16473 1/20 0.30
PTGS2 P35354 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
SCHEMBL7932741 0.85 PTGER1 (0.30)
SCHEMBL7932749 0.85 PTGER1 (0.30)
SCHEMBL7929310 0.77 XDH (0.40) XDHALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL7929312 0.76 PTGS2 (0.41) XDHALDH1A1LMNAERN1PTGS2
SCHEMBL5937063 0.75 TYR (0.48) XDHALDH1A1DRD1MEN1LMNA
SCHEMBL7922731 0.75 XDH (0.38) XDHALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL27938263 0.75 TAAR1 (0.38) ALDH1A1HTTSMN1; SMN2DRD3LMNA
SCHEMBL5937191 0.74 HCAR2 (0.40) XDHALDH1A1ERN1PTGS2
SCHEMBL5937129 0.73 OPRM1 (0.40) XDHDRD2DRD4
SCHEMBL813224 0.72 XDH (0.45) XDHGRIA4ALDH1A1DRD1DRD2

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