SCHEMBL7930628

SCHEMBL7930628

O=C(O)c1ccc(C#C/C=C/c2ccccc2-c2cccc(Cl)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.43
PTGER1 P34995 3/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
RARB P10826 6/20 0.39
RARA P10276 5/20 0.39
RARG P13631 5/20 0.39
RXRA P19793 4/20 0.39
PDE4D Q08499 2/20 0.39
PDE4B Q07343 1/20 0.39
RXRB P28702 3/20 0.38
RXRG P48443 1/20 0.38
HSP90AA1 P07900 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37

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 0.88 RARB (0.44) RARBRARARARGRXRARXRB
SCHEMBL6473734 0.88 RARB (0.44) RARBRARARARGRXRARXRB
SCHEMBL6479998 0.88 RARB (0.44) RARBRARARARGRXRARXRB
SCHEMBL7922661 0.87 RARB (0.44) PTGER1PTGER3PTGER2RARBRARA
SCHEMBL7922764 0.87 ALOX15 (0.41) MAP4K4PTGER1PTGER3PTGER2RARB
SCHEMBL7922763 0.87 ALOX15 (0.41) MAP4K4PTGER1PTGER3PTGER2RARB
SCHEMBL8180652 0.87 MAPK14 (0.39) PTGER1PTGER3PTGER2CHRM1CHRM3
SCHEMBL7929283 0.86 RARB (0.46) RARBRARARARGRXRARXRB
SCHEMBL7935134 0.86 RARB (0.46) RARBRARARARGRXRARXRB
SCHEMBL7929254 0.84 SLC16A3 (0.44) RARBRARARARGRXRARXRB

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