SCHEMBL8480765

SCHEMBL8480765

CCCc1[c]c(-c2ccccc2)c(-c2ccccc2)c(OC)c1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGAM O43451 4/20 0.41
GAA P10253 4/20 0.41
SI P14410 4/20 0.41
MGAM2 Q2M2H8 4/20 0.41
KCNA3 P22001 1/20 0.37
BCHE P06276 9/20 0.37
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL8474826 0.93 MGAM (0.41) MGAMGAASIMGAM2KCNA3
SCHEMBL8478626 0.90 MGAM (0.41) MGAMGAASIMGAM2BCHE
SCHEMBL8480711 0.90 MGAM (0.43) MGAMGAASIMGAM2KCNA3
SCHEMBL8477805 0.88 PDE4B (0.40)
SCHEMBL8475245 0.86 MAPT (0.38) MGAMGAASIMGAM2BCHE
SCHEMBL8474097 0.83 MGAM (0.41) MGAMGAASIMGAM2BCHE
SCHEMBL8481462 0.83 MGAM (0.42) MGAMGAASIMGAM2KCNA3
SCHEMBL8479017 0.83 MGAM (0.42) MGAMGAASIMGAM2BCHE
SCHEMBL8479030 0.82 GAA (0.44) MGAMGAASIMGAM2KCNA3
SCHEMBL8478650 0.80 PDE4B (0.53) MGAMGAASIMGAM2

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