SCHEMBL29286602

SCHEMBL29286602

CC=CC(=O)Oc1ccc(-c2cccc3[nH]nnc23)c(O)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
MGAM O43451 2/20 0.34
GAA P10253 2/20 0.34
SI P14410 2/20 0.34
MGAM2 Q2M2H8 2/20 0.34
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP3A4 P08684 1/20 0.31
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL28889443 0.82 ELANE (0.38) MGAMGAASIMGAM2PDGFRB
SCHEMBL27891304 0.78 GAA (0.34) MGAMGAASIMGAM2MAPT
SCHEMBL30058937 0.76 GAA (0.44) MGAMGAASIMGAM2MEN1
SCHEMBL9801810 0.76 GAA (0.44) MGAMGAASIMGAM2MEN1
SCHEMBL7267358 0.75 THRB (0.45) GAAMEN1MAPTKMT2AUSP2
SCHEMBL3974121 0.75 GAA (0.35) MGAMGAASIMGAM2MEN1
SCHEMBL15766019 0.74 MAPT (0.41) MGAMGAASIMGAM2MEN1
SCHEMBL4073935 0.73 KMT2A (0.43) MGAMGAASIMGAM2MEN1
SCHEMBL11468152 0.73 MAPT (0.36) MGAMGAASIMGAM2MEN1
SCHEMBL30848518 0.73 NR5A1 (0.45) GAAMEN1MAPTKMT2ATSHR

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
CN-106519124-B The preparation method of PVDF membrane material 中国科学院长春应用化学研究所 2019-01-01 CN claimed