SCHEMBL8448726

SCHEMBL8448726

CC(CCCCCCCCCCOC(=O)O)OC(=O)CCCCCCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 4/20 0.40
FAAH O00519 5/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
FFAR1 O14842 1/20 0.39
TSHR P16473 2/20 0.37
GSTK1 Q9Y2Q3 1/20 0.37
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36

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
SCHEMBL1498053 0.92 ALDH1A1 (0.44) ALDH1A1LMNAFAAHCNR1CNR2
SCHEMBL536517 0.91 ALDH1A1 (0.42) ALDH1A1LMNAFAAHCNR1CNR2
SCHEMBL15512804 0.86 DGKA (0.42) ALDH1A1LMNATSHR
SCHEMBL17165699 0.84 GPR84 (0.44) ALDH1A1LMNAFFAR4FFAR1
SCHEMBL7945802 0.83 LMNA (0.61) ALDH1A1LMNAFAAHCNR1CNR2
SCHEMBL7954229 0.83 LMNA (0.61) ALDH1A1LMNAFAAHCNR1CNR2
SCHEMBL1880556 0.83 FFAR1 (0.53) ALDH1A1LMNAFAAHCNR1CNR2
SCHEMBL1003524 0.83 FFAR1 (0.53) ALDH1A1LMNAFAAHCNR1CNR2
SCHEMBL7959647 0.83 LMNA (0.61) ALDH1A1LMNAFAAHCNR1CNR2
SCHEMBL22589990 0.83 LMNA (0.61) ALDH1A1LMNAFAAHCNR1CNR2

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 6 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-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-0627942-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1994-12-14 EP disclosed
WO-1993017718-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING A/S (NO) 1993-09-16 WO disclosed