SCHEMBL7922708

SCHEMBL7922708

O=C(O)c1ccc(C#C/C=C/c2ccccc2-c2cccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.50
MKNK2 Q9HBH9 3/20 0.50
KMO O15229 1/20 0.42
PDK2 Q15119 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
RARB P10826 6/20 0.39
RARA P10276 5/20 0.39
RARG P13631 5/20 0.39
RXRA P19793 1/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
APP P05067 1/20 0.39
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL6473734 0.89 RARB (0.44) RARBRARARARGRXRA
SCHEMBL6479998 0.89 RARB (0.44) RARBRARARARGRXRA
SCHEMBL7928924 0.89 RARB (0.44) RARBRARARARGRXRA
SCHEMBL7930817 0.88 RARB (0.41) MKNK1MKNK2RARBRARARARG
SCHEMBL8175983 0.87 SLC2A1 (0.48) MKNK1MKNK2CYP11B1CYP11B2CYP1A1
SCHEMBL7931791 0.82 BACE1 (0.44) RARBRARARARGRXRAHCAR2
SCHEMBL7922661 0.81 RARB (0.44) RARBRARARARGRXRAHCAR2
SCHEMBL7929278 0.81 RARB (0.39) RARBRARARARGRXRAHCAR2
SCHEMBL7922764 0.81 ALOX15 (0.41) CYP1B1RARBRARARARGRXRA
SCHEMBL7922675 0.81 RARB (0.46) RARBRARARARGRXRAALDH1A1

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