SCHEMBL8323264

SCHEMBL8323264

CCOC(=O)c1cc(C)c(N(CC)CC)nc1C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 2/20 0.43
MAOB P27338 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 2/20 0.41
ATM Q13315 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 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
SCHEMBL9800425 0.80 KDM4E (0.50) ALOX15KDM4EALDH1A1HPGDTSHR
SCHEMBL8559008 0.77 TDP1 (0.41) ALOX15LMNAKDM4EALDH1A1HPGD
SCHEMBL8656659 0.77 GLP1R (0.46) KDM4EALDH1A1TSHRMAPK1KMT2A
SCHEMBL8660447 0.77 TSHR (0.50) ALOX15LMNAKDM4EALDH1A1HPGD
SCHEMBL9869495 0.73 CA12 (0.42) ALOX15KDM4EALDH1A1HPGDTSHR
SCHEMBL8832491 0.72 CASP1 (0.49) LMNAKDM4EALDH1A1TSHRMAPK1
SCHEMBL4625850 0.71 TSHR (0.61) LMNAKDM4EALDH1A1TSHRMAPK1
SCHEMBL16302043 0.71 TSHR (0.61) LMNAKDM4EALDH1A1TSHRMAPK1
SCHEMBL9315414 0.71 SMN1; SMN2 (0.56) ALOX15LMNAKDM4EALDH1A1HPGD
SCHEMBL8318983 0.71 ALDH1A1 (0.50) ALOX15KDM4EALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0663399-B1 Pyridine-2,3-dicarboxylic imides, process for their preparation and their use to control the growth of unwanted plants BASF AG (DE) 1998-06-10 EP claimed
US-5959116-A 5-NITRO PYRIDINE-2,3-DICARBOXYLIC ACID ESTER CHEMICAL INTERMEDIATES MADE BY REACTING THE N-OXIDES OF PYRIDINE-2,3-DICARBOXYLIC ACID ESTERS WITH NITRIC ACID OR SODIUM NITRATE, THEN REMOVING THE N-OXIDE GROUP BASF AKTIENGESELLSCHAFT (DE) 1999-09-28 US disclosed
US-5571774-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-05 US disclosed