SCHEMBL8447265

SCHEMBL8447265

O=C(O)CCCCCCCCCCCCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
PPARA Q07869 3/20 0.47
TK2 O00142 4/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
KCNH2 Q12809 1/20 0.46
TBXA2R P21731 2/20 0.44

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
SCHEMBL8870247 1.00 KIF11 (0.50) KIF11HDAC1HDAC2MAPTRXFP1
SCHEMBL1884344 1.00 KIF11 (0.50) KIF11HDAC1HDAC2MAPTRXFP1
SCHEMBL1880174 1.00 KIF11 (0.50) KIF11HDAC1HDAC2MAPTRXFP1
SCHEMBL1884316 1.00 KIF11 (0.50) KIF11HDAC1HDAC2MAPTRXFP1
SCHEMBL8448579 0.98 KIF11 (0.49) KIF11HDAC1HDAC2MAPTRXFP1
SCHEMBL8869561 0.98 KIF11 (0.52) KIF11HDAC1HDAC2MAPTRXFP1
SCHEMBL18095446 0.95 KIF11 (0.46) KIF11HDAC1HDAC2MAPTRXFP1
SCHEMBL8870562 0.93 KIF11 (0.53) KIF11HDAC1HDAC2MAPTRXFP1
SCHEMBL17377653 0.90 KIF11 (0.41) KIF11HDAC1HDAC2MAPTRXFP1
SCHEMBL12004675 0.89 PDE4B (0.51) KIF11PPARACYP3A4NPSR1LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0627942-B1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1999-09-15 EP disclosed
US-5919753-A Cross-linking agent NYCOMED IMAGING AS (NO) 1999-07-06 US disclosed
US-5795562-A BIODEGRADABLE POLYMER AS CONTRAST AGENTS FOR DIAGNOSTIC IMAGING NYCOMED IMAGING AS (NO) 1998-08-18 US disclosed
US-5676925-A USING POLYESTER OR ACRYLATE POLYMERS NYCOMED IMAGING AS (NO) 1997-10-14 US disclosed
US-5674468-A A BIODEGRADABLE POLYESTER; USEFUL IN DIAGNOSTIC APPLICATIONS SUCH AS ULTRASOUND AND MAGNETIC RESONANCE IMAGING NYCOMED IMAGING AS (NO) 1997-10-07 US disclosed
EP-0577659-B1 CROSS-LINKING AGENT NYCOMED IMAGING AS (NO) 1996-01-17 EP disclosed
EP-0627942-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1994-12-14 EP disclosed
EP-0577659-A1 CROSS-LINKING AGENT. HOLMES MICHAEL JOHN (GB) 1994-01-12 EP disclosed
WO-1993017718-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING A/S (NO) 1993-09-16 WO disclosed
WO-1992017436-A1 CROSS-LINKING AGENT HOLMES, MICHAEL, JOHN (GB) 1992-10-15 WO disclosed