SCHEMBL8474577

SCHEMBL8474577

COc1ccc(-c2c[c]c(CCO)c(-c3ccc(OC)cc3)c2OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 4/20 0.46
GAA P10253 4/20 0.46
SI P14410 4/20 0.46
MGAM2 Q2M2H8 4/20 0.46
NPSR1 Q6W5P4 3/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
NOD2 Q9HC29 1/20 0.42
C5AR1 P21730 1/20 0.40
ABCB1 P08183 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
BCHE P06276 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BACE1 P56817 1/20 0.39
GSTP1 P09211 1/20 0.39

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
SCHEMBL8474291 0.91 MGAM (0.43) MGAMGAASIMGAM2NPSR1
SCHEMBL8475781 0.89 CYP4F2 (0.41) MGAMGAASIMGAM2NPSR1
SCHEMBL8480525 0.88 MGAM (0.42) MGAMGAASIMGAM2MAPK1
SCHEMBL8475330 0.88 MGAM (0.45) MGAMGAASIMGAM2NPSR1
SCHEMBL8475444 0.85 LTA4H (0.41) MGAMGAASIMGAM2MAPT
SCHEMBL8478292 0.83 MGAM (0.46) MGAMGAASIMGAM2NPSR1
SCHEMBL8478958 0.83 MGAM (0.46) MGAMGAASIMGAM2MAPT
SCHEMBL8476879 0.81 GAA (0.40) MGAMGAASIMGAM2MAPT
SCHEMBL8476983 0.79 GAA (0.40) MGAMGAASIMGAM2MAPT
SCHEMBL8474999 0.78 GAA (0.41) MGAMGAASIMGAM2MAPT

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
US-6004988-A Carboxylic acid derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed