SCHEMBL7922731

SCHEMBL7922731

CCOCOCCc1ccc(-c2ccccc2C=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL7929310 0.86 XDH (0.40) XDHSMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL7932747 0.84 FFAR1 (0.33) FFAR1FFAR4MAOB
SCHEMBL6284038 0.79 XDH (0.45) XDHSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL9652691 0.77 HSD11B1 (0.45) XDHALDH1A1HPGDTHRBBRS3
SCHEMBL5937195 0.77 HCAR2 (0.39) XDHSMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL7922724 0.75 XDH (0.37) XDHSMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL5937132 0.74 CTSK (0.42) XDHDRD2DRD4KMT2A
SCHEMBL11345633 0.74 RARB (0.48) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL29038937 0.74 RAB9A (0.45) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL813225 0.73 TDP1 (0.45) XDHSMN1; SMN2ALDH1A1HPGDHTT

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