SCHEMBL7922795

SCHEMBL7922795

CCOCOCc1ccc(-c2ccccc2C=CI)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
BACE1 P56817 2/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
TSHR P16473 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
SCHEMBL7922790 1.00 PTGER1 (0.34) PTGER1PTGER4PTGER3PTGER2BACE1
SCHEMBL7932747 0.87 FFAR1 (0.33) FFAR1FFAR4
SCHEMBL7929310 0.83 XDH (0.40) FFAR1FFAR4TSHR
SCHEMBL7932741 0.78 PTGER1 (0.30) PTGER1PTGER3PTGER2
SCHEMBL7932749 0.78 PTGER1 (0.30) PTGER1PTGER3PTGER2
SCHEMBL7922968 0.77 MAOB (0.36) PTGER1PTGER3PTGER2BACE1FFAR1
SCHEMBL7922963 0.77 MAOB (0.36) PTGER1PTGER3PTGER2BACE1FFAR1
SCHEMBL12147162 0.74 IDO1 (0.52) FFAR1TSHR
SCHEMBL7932743 0.74 PPARA (0.34) FFAR1FFAR4
SCHEMBL23906770 0.72 TSHR (0.42) TSHR

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