SCHEMBL7595095

SCHEMBL7595095

CCOc1cc(O)cc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
PLA2G2A P14555 1/20 0.53
GPBAR1 Q8TDU6 1/20 0.51
HCAR1 Q9BXC0 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
BRD4 O60885 1/20 0.50
BRD2 P25440 1/20 0.50

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
SCHEMBL2655120 0.88 PLA2G2A (0.65) PLA2G2AKMT2AMEN1TP53PKM
SCHEMBL3184334 0.88 PLA2G2A (0.59) PLA2G2AKMT2AMEN1TP53PKM
SCHEMBL9525522 0.85 CA5A (0.57) CA12CA1CA2CA7CA9
SCHEMBL713400 0.82 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL5415007 0.82 CA12 (0.73) CA12CA1CA2CA7CA9
SCHEMBL31442766 0.82 PLA2G2A (0.82) PLA2G2AKMT2ATP53PLA2G4BTSHR
SCHEMBL18311268 0.81 PLA2G2A (0.57) CA1CA2PLA2G2AKMT2AMEN1
SCHEMBL29784186 0.81 PLA2G2A (0.53) PLA2G2AKMT2AMEN1TP53PKM
SCHEMBL2279445 0.81 PLA2G2A (0.53) PLA2G2AKMT2AMEN1TP53PKM
SCHEMBL12861036 0.81 TPMT (0.57) PLA2G2AHCAR1KMT2AMEN1TP53

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
CN-115667470-B Lubricating base oil 花王株式会社 2023-10-20 CN disclosed
EP-1000038-B1 NOVEL PYRIMIDIN DERIVATIVES ASTRAZENECA AB (SE) 2002-11-06 EP 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