SCHEMBL18506598

SCHEMBL18506598

O=C(O)c1cc(COCO)cc(C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MRGPRX4 Q96LA9 3/20 0.39
GAA P10253 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
FOLH1 Q04609 1/20 0.37
TPMT P51580 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CA3 P07451 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
SCHEMBL24474396 0.79 ALDH1A1 (0.62) ALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL27747427 0.79 PLA2G2A (0.45) CA12CA1CA2CA7CA9
SCHEMBL17395798 0.77 BRD4 (0.50) CA12CA1CA2CA7CA9
SCHEMBL14505829 0.76 KMT2A (0.61) MEN1KMT2AALDH1A1NPSR1MRGPRX4
SCHEMBL28767935 0.75 MEN1 (0.70) MEN1KMT2AMRGPRX4TP53SMN1; SMN2
SCHEMBL1551997 0.75 TPMT (0.50) CA12CA1CA2CA7CA9
SCHEMBL5454978 0.72 BRD4 (0.47) CA12CA1CA2CA7CA9
SCHEMBL16749638 0.72 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL1950244 0.72 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL21015935 0.72 MRGPRX4 (0.40) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017025298-A1 CROSS-LINKED STAR-SHAPED SELF-ASSEMBLED POLYPEPTIDES AND ITS USE AS CARRIERS IN BIOMEDICAL APPLICATIONS CENTRO DE INVESTIGACION PRINCIPE FELIPE (ES) 2017-02-16 WO disclosed