SCHEMBL7929366

SCHEMBL7929366

COCOc1ccc(-c2ccccc2C=CI)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.38
EGFR P00533 1/20 0.36
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ABL1 P00519 1/20 0.35
ABCB1 P08183 1/20 0.35
BCR P11274 1/20 0.35
GSTP1 P09211 2/20 0.35
HDAC8 Q9BY41 2/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
FFAR4 Q5NUL3 2/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL7929362 1.00 FYN (0.38) FYNEGFRKCNH2HRH3ABL1
SCHEMBL7932722 0.85 PTGER1 (0.39) FYNEGFRHDAC8BACE1PTGER4
SCHEMBL7932728 0.85 PTGER1 (0.39) FYNEGFRHDAC8BACE1PTGER4
SCHEMBL7931866 0.82 XDH (0.42) FYNEGFRABL1ABCB1BCR
SCHEMBL7929341 0.79 FYN (0.39) FYNHDAC8BACE1HDAC3HDAC1
SCHEMBL7931935 0.79 FYN (0.39) FYNEGFRBACE1FFAR4FFAR1
SCHEMBL7929345 0.79 FYN (0.39) FYNHDAC8BACE1HDAC3HDAC1
SCHEMBL7931938 0.79 FYN (0.39) FYNEGFRBACE1FFAR4FFAR1
SCHEMBL6478445 0.74 EGFR (0.47) FYNEGFR
SCHEMBL7931959 0.74 NFE2L2 (0.38) HDAC8BACE1HDAC3HDAC1NCOR2

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