SCHEMBL7583347

SCHEMBL7583347

Nc1c(CC(=O)O)cccc1CC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.58
PTGS2 P35354 3/20 0.57
ABCB11 O95342 2/20 0.57
PTGS1 P23219 2/20 0.57
LMNA P02545 1/20 0.57
ADORA1 P30542 1/20 0.57
TDP1 Q9NUW8 1/20 0.55
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48
PTPN11 Q06124 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47

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
SCHEMBL1000848 0.89 PTGS2 (0.53) AKR1B1PTGS2ABCB11PTGS1LMNA
SCHEMBL28287356 0.87 AKR1B1 (0.67) AKR1B1PTGS2ABCB11PTGS1LMNA
SCHEMBL9614495 0.87 AKR1B1 (0.50) AKR1B1PTGS2ABCB11PTGS1LMNA
SCHEMBL16396604 0.86 PTGS2 (0.58) AKR1B1PTGS2ABCB11PTGS1LMNA
SCHEMBL16397052 0.86 AKR1B1 (0.57) AKR1B1PTGS2ABCB11PTGS1LMNA
SCHEMBL6241910 0.86 ABCB11 (0.62) AKR1B1PTGS2ABCB11PTGS1LMNA
SCHEMBL2729571 0.86 CXCL8 (0.53) AKR1B1PTGS2ABCB11PTGS1LMNA
SCHEMBL16396968 0.86 PTGS2 (0.54) AKR1B1PTGS2ABCB11PTGS1LMNA
SCHEMBL19138018 0.85 PTGS2 (0.47) AKR1B1PTGS2ABCB11PTGS1LMNA
SCHEMBL11095059 0.84 CXCL8 (0.56) AKR1B1PTGS2ABCB11PTGS1LMNA

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-0979847-B1 WATER-SOLUBLE TRISAZO COMPOUNDS, AQUEOUS INK COMPOSITION AND COLORED ARTICLE NIPPON KAYAKU KK (JP) 2002-09-25 EP disclosed
US-6409810-B1 STORAGE STABILITY; HIGH OPTICAL DENSITY; WATERPROOF AND LIGHT RESISTANCE; PENS; PRINTED IMAGES NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2002-06-25 US disclosed
EP-0979847-A1 WATER-SOLUBLE TRISAZO COMPOUNDS, AQUEOUS INK COMPOSITION AND COLORED ARTICLE NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2000-02-16 EP disclosed
US-4225492-A Water-soluble disazo dyestuffs, prepared from unsymmetrical heterocyclic diamines CASSELLA AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed
US-4144231-A Soluble trisazo dyestuffs containing a 2-phenyl-benzimidazolyl, -benzoxazolyl or -benzthiazolyl middle component CASSELLA AKTIENGESELLSCHAFT (DE) 1979-03-13 US disclosed