SCHEMBL8474097

SCHEMBL8474097

CCCc1[c]c(-c2ccc(C)cc2)c(OC)c(-c2ccc(C)cc2)c1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

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
BCHE P06276 8/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MAOB P27338 1/20 0.33
IKBKE Q14164 1/20 0.33

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
SCHEMBL8478626 0.93 MGAM (0.41) MGAMGAASIMGAM2BCHE
SCHEMBL8474826 0.91 MGAM (0.41) MGAMGAASIMGAM2BCHE
SCHEMBL8480436 0.91 MGAM (0.42) MGAMGAASIMGAM2BCHE
SCHEMBL8482102 0.85 GCGR (0.32) GAA
SCHEMBL8479437 0.84 GAA (0.44) MGAMGAASIMGAM2BCHE
SCHEMBL8480765 0.83 MGAM (0.41) MGAMGAASIMGAM2BCHE
SCHEMBL8478203 0.83 MGAM (0.43) MGAMGAASIMGAM2BCHE
SCHEMBL8481462 0.81 MGAM (0.42) MGAMGAASIMGAM2NPC1
SCHEMBL8479773 0.81 MGAM (0.42) MGAMGAASIMGAM2BCHE
SCHEMBL8475575 0.81 PDE4B (0.44) PDE4APDE4BPDE4CPDE4D

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