SCHEMBL7930817

SCHEMBL7930817

O=C(O)c1ccc(C#C/C=C/c2ccccc2-c2ccncc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.41
RARG P13631 7/20 0.41
RARA P10276 6/20 0.41
RXRA P19793 1/20 0.41
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
GCGR P47871 1/20 0.36
MAPK14 Q16539 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
SLC22A12 Q96S37 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
BACE1 P56817 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7928924 0.91 RARB (0.44) RARBRARGRARARXRABACE1
SCHEMBL6479998 0.91 RARB (0.44) RARBRARGRARARXRABACE1
SCHEMBL6473734 0.91 RARB (0.44) RARBRARGRARARXRABACE1
SCHEMBL7922708 0.88 MKNK1 (0.50) RARBRARGRARARXRAMKNK1
SCHEMBL7931791 0.86 BACE1 (0.44) RARBRARGRARARXRABACE1
SCHEMBL8181739 0.86 RAF1 (0.40) ALDH1A1
SCHEMBL7922764 0.85 ALOX15 (0.41) RARBRARGRARARXRA
SCHEMBL1683992 0.85 RARB (0.53) RARBRARGRARARXRAALDH1A1
SCHEMBL7922763 0.85 ALOX15 (0.41) RARBRARGRARARXRA
SCHEMBL7922675 0.85 RARB (0.46) RARBRARGRARARXRABACE1

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 5 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 claimed
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 claimed
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