SCHEMBL7922800

SCHEMBL7922800

C=Cc1ccc(-c2ccccc2C=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.49
DRD1 P21728 3/20 0.45
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 5/20 0.43
TSHR P16473 2/20 0.43
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
BACE1 P56817 1/20 0.36
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL585316 0.86 ALDH1A1 (0.48) XDHDRD1TDP1ALDH1A1TSHR
SCHEMBL6849341 0.86 DRD1 (0.53) XDHDRD1TDP1MEN1LMNA
SCHEMBL11768743 0.85 LMNA (0.60) XDHDRD1TDP1MEN1LMNA
SCHEMBL30497064 0.85 LMNA (0.60) XDHDRD1TDP1MEN1LMNA
SCHEMBL28018265 0.85 DRD1 (0.53) XDHDRD1TDP1MEN1LMNA
SCHEMBL12212922 0.84 DRD1 (0.51) XDHDRD1TDP1MEN1LMNA
SCHEMBL27514196 0.80 TDP1 (0.40) XDHTDP1MEN1LMNATHRB
SCHEMBL812365 0.80 XDH (0.51) XDHDRD1TDP1MEN1LMNA
SCHEMBL30924956 0.79 XDH (0.54) XDHTDP1MEN1LMNATHRB
SCHEMBL977958 0.79 XDH (0.54) XDHTDP1MEN1LMNATHRB

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