SCHEMBL7126740

SCHEMBL7126740

CC(C)(C)OC(=O)NC1CCC(n2cc(C(=O)O)c(=O)c3ccc(I)cc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.44
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.42
JAK1 P23458 4/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42
TOP2A P11388 2/20 0.41
TOP2B Q02880 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
PIK3CG P48736 4/20 0.39
PIK3CA P42336 4/20 0.39
PIK3CD O00329 3/20 0.39
PIK3R1 P27986 3/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL7126732 1.00 MAPK8 (0.44) MAPK8KDM4EALDH1A1JAK1LMNA
SCHEMBL7120425 0.88 MAPK8 (0.42) MAPK8KDM4EALDH1A1JAK1LMNA
SCHEMBL7120421 0.88 MAPK8 (0.42) MAPK8KDM4EALDH1A1JAK1LMNA
SCHEMBL7118334 0.84 KDM4E (0.59) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL29541197 0.84 KDM4E (0.59) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL7127052 0.79 KDM4E (0.67) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL5569671 0.75 KDM4E (0.62) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL5569676 0.75 KDM4E (0.62) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3819912 0.74 KDM4E (0.59) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9181336 0.73 KDM4E (0.61) KDM4EALDH1A1LMNAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0793656-B1 NOVEL BENZYL PYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-03-26 EP disclosed
US-5763450-A BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed