SCHEMBL7595272

SCHEMBL7595272

CCOC(=O)c1cc(CBr)cc(COc2cc(OCCOC)cc(C(=O)O)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PLA2G2A P14555 1/20 0.42
MRGPRX4 Q96LA9 6/20 0.39
PKM P14618 3/20 0.39
TP53 P04637 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL7594600 0.90 MRGPRX4 (0.48) MEN1KMT2APLA2G2AMRGPRX4PKM
SCHEMBL7905620 0.80 CA12 (0.46) MEN1KMT2ATP53SMN1; SMN2CA12
SCHEMBL7896250 0.79 MAPT (0.48) MEN1KMT2AMRGPRX4PKMTP53
SCHEMBL4652540 0.78 CYP2C19 (0.57) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL8055908 0.77 CA12 (0.58) MEN1KMT2ATP53CA12CA1
SCHEMBL23352170 0.75 PLA2G2A (0.64) MEN1KMT2APLA2G2APKMTP53
SCHEMBL7592102 0.75 CA12 (0.58) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL7597018 0.75 MEN1 (0.77) MEN1KMT2APLA2G2AMRGPRX4PKM
SCHEMBL4727671 0.75 PLA2G2A (0.54) MEN1KMT2APLA2G2ATP53CA12
SCHEMBL7594237 0.74 PKM (0.38) MEN1KMT2AMRGPRX4PKMTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000038-B1 NOVEL PYRIMIDIN DERIVATIVES ASTRAZENECA AB (SE) 2002-11-06 EP disclosed
US-6200981-B1 FOR TREATING INFLAMMATORY DISEASES SUCH AS ASTHMA, INFLAMMATORY BOWEL DISEASE, PSORIASIS, RHEUMATOID ARTHRITIS, MYOCARDIAL ISCHAEMIA, CYSTIC FIBROSIS, ARTHEREOSCLEROSIS, RESTENOSIS, PERIDONTAL DISEASE, SEPTIC SHOCK, OSTEOARTHRITIS ASTRAZENECA UK LIMITED (GB) 2001-03-13 US disclosed
EP-1000038-A1 NOVEL PYRIMIDIN DERIVATIVES AstraZeneca UK Limited (GB) 2000-05-17 EP disclosed
WO-1999005123-A1 NOVEL PYRIMIDIN DERIVATIVES ASTRAZENECA UK LIMITED (GB) 1999-02-04 WO disclosed