SCHEMBL7922963

SCHEMBL7922963

CCCc1ccc(-c2ccccc2/C=C/I)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.36
THRB P10828 2/20 0.36
MCL1 Q07820 1/20 0.35
BACE1 P56817 1/20 0.35
PDE10A Q9Y233 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 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
SCHEMBL7922968 1.00 MAOB (0.36) MAOBTHRBMCL1BACE1PDE10A
SCHEMBL7932747 0.81 FFAR1 (0.33) MAOBLTB4R2FFAR1FFAR4
SCHEMBL5132867 0.80 THRB (0.41) MAOBTHRBMCL1
SCHEMBL6284038 0.80 XDH (0.45) MAOBTHRBMCL1
SCHEMBL8029291 0.78 MAOB (0.47) MAOBMCL1
SCHEMBL7931961 0.78 NFE2L2 (0.38) BACE1PTGER1PTGER3PTGER2
SCHEMBL7931959 0.78 NFE2L2 (0.38) BACE1PTGER1PTGER3PTGER2
SCHEMBL7922790 0.77 PTGER1 (0.34) BACE1FFAR1FFAR4PTGER1PTGER3
SCHEMBL7922795 0.77 PTGER1 (0.34) BACE1FFAR1FFAR4PTGER1PTGER3
SCHEMBL7935558 0.77 BACE1 (0.46) BACE1PTGER1PTGER3PTGER2

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