SCHEMBL7932749

SCHEMBL7932749

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

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.30
PTGER3 P43115 1/20 0.30
PTGER2 P43116 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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 1.00 PTGER1 (0.30) PTGER1PTGER3PTGER2PDCD1CD274
SCHEMBL7922724 0.85 XDH (0.37)
SCHEMBL7922790 0.78 PTGER1 (0.34) PTGER1PTGER3PTGER2
SCHEMBL7922795 0.78 PTGER1 (0.34) PTGER1PTGER3PTGER2
SCHEMBL7922792 0.77 PTGS2 (0.39) PTGER1PTGER3PTGER2
SCHEMBL7932747 0.76 FFAR1 (0.33)
SCHEMBL27938263 0.73 TAAR1 (0.38)
SCHEMBL7932743 0.71 PPARA (0.34)
SCHEMBL7931959 0.68 NFE2L2 (0.38) PTGER1PTGER3PTGER2
SCHEMBL7931961 0.68 NFE2L2 (0.38) PTGER1PTGER3PTGER2

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