SCHEMBL8995660

SCHEMBL8995660

O=C(Oc1ccccc1)OC(Cl)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.43
MGLL Q99685 1/20 0.41
NPY5R Q15761 1/20 0.40
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2D6 P10635 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SRC P12931 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL984298 0.86 CYP2D6 (0.44) L3MBTL1TDP1LMNAHPGDCYP2D6
SCHEMBL9853830 0.85 KMT2A (0.43) ATML3MBTL1TDP1NPY5RLMNA
SCHEMBL18476480 0.83 ALDH1A1 (0.52) MGLLLMNAALDH1A1GAAKMT2A
SCHEMBL4492405 0.79 ALOX15 (0.43) ATML3MBTL1TDP1NPY5RLMNA
SCHEMBL29001732 0.79 ATM (0.40) ATML3MBTL1TDP1LMNAHPGD
SCHEMBL1096587 0.78 CYP2D6 (0.44) L3MBTL1TDP1LMNAHPGDCYP2D6
SCHEMBL27840777 0.78 CYP2D6 (0.44) L3MBTL1TDP1LMNAHPGDCYP2D6
SCHEMBL8846903 0.78 HCAR2 (0.53) ATML3MBTL1MGLLNPY5RLMNA
SCHEMBL8775046 0.76 ALDH1A1 (0.41) ATML3MBTL1TDP1HPGDALOX15
SCHEMBL825537 0.76 CYP2D6 (0.48) L3MBTL1TDP1LMNAHPGDCYP2D6

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
US-5559266-A Iodinated esters NYCOMED IMAGING AS (NO) 1996-09-24 US disclosed
US-5416223-A Iodinated esters NYCOMED IMAGING AS (NO) 1995-05-16 US disclosed
US-5370861-A Iodinated esters contrast medium and use NYCOMED IMAGING AS (NO) 1994-12-06 US disclosed
EP-0452377-B1 IODINATED ESTERS NYCOMED IMAGING AS (NO) 1994-09-21 EP disclosed
EP-0452377-A1 IODINATED ESTERS. HOLMES MICHAEL JOHN (GB) 1991-10-23 EP disclosed
WO-1990007491-A1 IODINATED ESTERS NYCOMED AS (NO) 1990-07-12 WO disclosed