SCHEMBL7589113

SCHEMBL7589113

CC(=O)OC(CCCCl)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
ELANE P08246 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOB P27338 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
ALOX5 P09917 1/20 0.38
LTA4H P09960 1/20 0.38
LAP3 P28838 1/20 0.38
ATM Q13315 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL21626581 0.84 ALDH1A1 (0.57) ALDH1A1ELANEL3MBTL1TDP1MAPK1
SCHEMBL17164467 0.78 ALDH1A1 (0.47) ALDH1A1ELANEL3MBTL1TDP1MAPK1
SCHEMBL7969600 0.78 ALDH1A1 (0.51) ALDH1A1ELANEL3MBTL1TDP1MAPK1
SCHEMBL19245074 0.77 ALDH1A1 (0.65) ALDH1A1ELANEL3MBTL1TDP1MAPK1
SCHEMBL18631638 0.77 ALDH1A1 (0.65) ALDH1A1ELANEL3MBTL1TDP1MAPK1
SCHEMBL18631637 0.77 ALDH1A1 (0.65) ALDH1A1ELANEL3MBTL1TDP1MAPK1
SCHEMBL10503384 0.76 SMN1; SMN2 (0.46) ALDH1A1TDP1LMNAALOX5MAPT
SCHEMBL7636892 0.75 ALDH1A1 (0.49) ALDH1A1ELANEL3MBTL1TDP1MAPK1
SCHEMBL8741502 0.75 HDAC2 (0.51) ALDH1A1MAPK1KMT2ATSHRLMNA
SCHEMBL24859301 0.75 ALDH1A1 (0.61) ALDH1A1ELANEL3MBTL1TDP1MAPK1

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-6448442-B1 X-RAY CONTRAST AGENTS; LOW VISCOSITY IODINATED ARYL COMPOUNDS AMERSHAM HEALTH AS (NO) 2002-09-10 US disclosed
US-6310243-B1 BENZENE COMPOUNDS IN WHICH 3 NON-ADJACENT RING ATOMS ARE SUBSTITUTED WITH IODINE, 2 OF THE REMAINING RING ATOMS ARE AMIDE SUBSTITUTED WITH HYDROXY AND THE OTHER REMAINING RING ATOM IS A NON-AMIDE, HYDROXY-SUBSTITUTED NONIONIC MOIETY NYCOMED IMAGING AS (NO) 2001-10-30 US disclosed
EP-0573289-B1 Process for preparation of 2-oxo-1-piperidinyl derivatives BRACCO INT BV (NL) 1999-04-28 EP disclosed
US-5628980-A Nonionic radiographic contrast agents BRACCO INTERNATIONAL B.V. (NL) 1997-05-13 US disclosed
US-5614638-A Nonionic radiographic contrast agents BRACCO INTERNATIONAL B.V. (NL) 1997-03-25 US disclosed
US-5591846-A Nonionic radiographic contrast agents BRACCO INTERNATIONAL B.V. 1997-01-07 US disclosed
US-5559237-A Process for preparation of 2-oxo-1-piperidinyl derivatives BRACCO INTERNATIONAL B.V. (NL) 1996-09-24 US disclosed
US-5359077-A Process for preparation of 2-oxo-1 piperidinyl derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1994-10-25 US disclosed
EP-0573289-A2 Process for preparation of 2-oxo-1-piperidinyl derivatives BRACCO INTERNATIONAL B.V. (NL) 1993-12-08 EP disclosed