SCHEMBL8475809

SCHEMBL8475809

CCCc1[c]c(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
MAOB P27338 2/20 0.35
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
PTGS2 P35354 2/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 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
SCHEMBL8474773 0.88 MAPT (0.38) MAPTMAOBHEXAHEXBCCNB2
SCHEMBL8480989 0.88 DPP4 (0.32) GAAALDH1A1
SCHEMBL8578464 0.87 PTGS2 (0.44) MAOBCDK1PTGS2POLBGAA
SCHEMBL8477805 0.87 PDE4B (0.40)
SCHEMBL8474810 0.86 MAPT (0.37) MAPTMAOBHEXAHEXBCCNB2
SCHEMBL8474843 0.80 KDM4E (0.39) MAPTMAOBPTGS2POLBKDM4E
SCHEMBL8477582 0.79 MAPT (0.38) MAPTMAOBHEXAHEXBCCNB2
SCHEMBL8478931 0.78 ESR1 (0.41) MAPTMAOBHEXAHEXBCCNB2
SCHEMBL8474318 0.78 ESR2 (0.41) MAOBHEXAHEXBPTGS2POLB
SCHEMBL8581223 0.77 MAPK1 (0.36) MAPTPTGS2GAAKDM4EALDH1A1

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