SCHEMBL8452502

SCHEMBL8452502

C=C(C)C(=O)OCOC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 2/20 0.42
HCAR2 Q8TDS4 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL3950440 0.88 ALDH1A1 (0.54) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL13234389 0.87 ALDH1A1 (0.66) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL13234396 0.87 ALDH1A1 (0.66) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL7878587 0.87 ALDH1A1 (0.66) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL13234425 0.87 ALDH1A1 (0.66) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL13234392 0.87 ALDH1A1 (0.66) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL13234390 0.87 ALDH1A1 (0.66) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL13234388 0.87 ALDH1A1 (0.66) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL13234404 0.87 ALDH1A1 (0.66) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL20996 0.87 ALDH1A1 (0.66) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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-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
US-5574097-A NONCROSSLINKED POLYMERS WITH BIODEGRADABLE LIPOPHILIC SIDE CHAINS INCORPORATING METHYLENE DIESTER UNITS, CLEAVABLE TO YIELD A WATER SOLUBLE POLYMER NYCOMED IMAGING AS (NO) 1996-11-12 US disclosed
EP-0629214-B1 CHEMICAL COMPOUNDS NYCOMED IMAGING AS (NO) 1996-10-23 EP disclosed
EP-0629214-A1 CHEMICAL COMPOUNDS. NYCOMED IMAGING AS (NO) 1994-12-21 EP disclosed
EP-0627942-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1994-12-14 EP disclosed
WO-1993018070-A1 CHEMICAL COMPOUNDS NYCOMED IMAGING AS (NO) 1993-09-16 WO disclosed
WO-1993017718-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING A/S (NO) 1993-09-16 WO disclosed