SCHEMBL6740528

SCHEMBL6740528

N#Cc1cc(C#N)cc(C[O])c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.41
ALB P02768 2/20 0.41
VCAM1 P19320 2/20 0.38
LOXL2 Q9Y4K0 2/20 0.36
CYP2A6 P11509 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GLA P06280 1/20 0.35
GPR35 Q9HC97 1/20 0.33
FFAR1 O14842 1/20 0.33
TSHR P16473 1/20 0.32
MEP1A Q16819 1/20 0.32
MEP1B Q16820 1/20 0.32
CYP19A1 P11511 1/20 0.31
DAO P14920 1/20 0.31
GSK3B P49841 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31

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
SCHEMBL15018403 0.84 VNN1 (0.36)
SCHEMBL5898258 0.84 TTR (0.39) TTRALBVCAM1CYP2A6GLA
SCHEMBL5898383 0.84 TTR (0.34) TTRALBVCAM1LOXL2CYP2A6
SCHEMBL2390020 0.80 RXRA (0.49) MEN1KMT2A
SCHEMBL7670779 0.80 ALDH1A1 (0.41) TTRALBCYP19A1
SCHEMBL29020842 0.79 TTR (0.41) TTRALBVCAM1LOXL2CYP2A6
SCHEMBL5897979 0.78 VCAM1 (0.69) VCAM1MEN1KMT2ATSHRCYP19A1
SCHEMBL1542913 0.78 LOXL2 (0.41) TTRALBVCAM1LOXL2CYP2A6
SCHEMBL595713 0.77 GLA (0.54) GLAFFAR1MEP1AMEP1BCYP19A1
SCHEMBL60145 0.76 TTR (0.50) TTRALBVCAM1LOXL2CYP2A6

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689771-B2 TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS, CORNEAL ULCERATION, SOLID TUMOR GROWTH BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US disclosed
US-6376665-B1 ANTIARTHRITIC AGENTS, ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-23 US disclosed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed
EP-1027332-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-08-16 EP disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 WO disclosed