SCHEMBL5898463

SCHEMBL5898463

CCc1cc(C[O])cc(CC)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.40
NOS2 P35228 3/20 0.40
KDM5B Q9UGL1 1/20 0.39
FABP4 P15090 1/20 0.33
ESR1 P03372 1/20 0.32
MAT2A P31153 1/20 0.32
LMNA P02545 1/20 0.32
NOS1 P29475 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CXCR4 P61073 1/20 0.31
DHFR P00374 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
SCHEMBL6465582 0.81 NOS3 (0.44) NOS3NOS2KDM5BFABP4ESR1
SCHEMBL14511360 0.75 NOS3 (0.40) NOS3NOS2KDM5BESR1LMNA
SCHEMBL6629720 0.75 NOS3 (0.40) NOS3NOS2KDM5BFABP4ESR1
SCHEMBL5898465 0.75 NOS3 (0.40) NOS3NOS2KDM5BESR1NOS1
SCHEMBL21436419 0.75 NOS3 (0.45) NOS3NOS2KDM5BESR1LMNA
SCHEMBL25060383 0.74 NOS3 (0.43) NOS3NOS2KDM5BESR1MAT2A
SCHEMBL7626152 0.73 RXRA (0.40) NOS3NOS2LMNANOS1CYP1A2
SCHEMBL16414475 0.71 NOS3 (0.42) NOS3NOS2KDM5BESR1NOS1
SCHEMBL20072601 0.71 ACHE (0.42) NOS3NOS2KDM5BESR1CYP1A2
SCHEMBL6464978 0.70 NOS2 (0.70) NOS3NOS2ESR1NOS1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620823-B2 Antiinflammatory agents; rheumatic disorders BRISTOL-MYERS SQUIBB PHARME COMPANY 2003-09-16 US claimed
US-6984648-B2 Cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-01-10 US disclosed
US-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-6884806-B2 Bicyclic lactam derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-26 US disclosed
US-6743807-B2 TREATMENT OF RHEUMATOID AND OSTEOARTHRITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, TUMOR METASTASIS OR INVASION, PERIODONTAL DISEASE AND BONE DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-06-01 US disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 US disclosed
EP-1373199-A4 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-04-07 EP disclosed
EP-1373199-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) Bristol-Myers Squibb Pharma Company (US) 2004-01-02 EP disclosed
US-6620823-B2 Antiinflammatory agents; rheumatic disorders BRISTOL-MYERS SQUIBB PHARME COMPANY 2003-09-16 US disclosed
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed
EP-1263756-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP disclosed
WO-2002074738-A2 SPIRO-CYCLIC BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND TNF-ALPHA CONVERTING ENZYME (TAGE) BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-26 WO disclosed
US-6455522-B1 ANTIINFLAMMATORY AGENTS; AGGRECANASE AND TUMOR NECROSIS FACTOR INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-24 US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US disclosed
WO-2002004416-A2 LACTAM METALLOPROTEASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-17 WO disclosed
WO-2001070734-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO disclosed
WO-2001070673-A2 CYCLIC β-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-$g(a) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 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