SCHEMBL7597018

SCHEMBL7597018

COCCOc1cc(OCc2ccccc2)cc(C(=O)O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
NR4A2 P43354 3/20 0.60
NR4A1 P22736 1/20 0.56
NR4A3 Q92570 1/20 0.56
GCK P35557 2/20 0.55
MAOB P27338 3/20 0.54
SRD5A2 P31213 2/20 0.53
MRGPRX4 Q96LA9 2/20 0.53
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
SMPD1 P17405 1/20 0.51
NPC1 O15118 2/20 0.51
NR1H4 Q96RI1 2/20 0.51

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
SCHEMBL1776182 0.93 MEN1 (0.75) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL3488958 0.93 MEN1 (0.75) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL21924243 0.88 MEN1 (0.82) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL21924252 0.88 MEN1 (0.82) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL1426961 0.88 MEN1 (1.00) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL2651146 0.87 KMT2A (0.79) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL29788233 0.87 MEN1 (0.84) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL340452 0.87 MEN1 (0.84) MEN1KMT2ANR4A2NR4A1NR4A3
Hydrochloric Acid SCHEMBL6841086 0.86 MEN1 (0.96) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL23352170 0.86 PLA2G2A (0.64) MEN1KMT2ARAB9ATP53PKM

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