SCHEMBL8580141

SCHEMBL8580141

COc1ccc(-c2[c]c(C)c(OC)c(OC)c2-c2ccc(OC)c(C)c2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
PTGS2 P35354 4/20 0.37
PTGS1 P23219 2/20 0.36
CYP19A1 P11511 1/20 0.33
NQO2 P16083 1/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 2/20 0.32
SLC10A2 Q12908 1/20 0.32
FFAR1 O14842 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8582603 0.88 KDM4E (0.38) KDM4EMAPTPDGFRBPDGFRAPTGS2
SCHEMBL8482345 0.82 SLC10A2 (0.38) KDM4EMAPTPDGFRBPDGFRARAB9A
SCHEMBL8581223 0.81 MAPK1 (0.36) KDM4EMAPTPDGFRBPDGFRAPTGS2
SCHEMBL8477185 0.80 KDM4E (0.38) KDM4EMAPTPDGFRBPDGFRAPTGS2
SCHEMBL8583197 0.80 PTGS2 (0.35) KDM4EMAPTPDGFRBPDGFRAPTGS2
SCHEMBL8479712 0.79 MAPT (0.39) KDM4EMAPTPDGFRBPDGFRAPTGS2
SCHEMBL8478485 0.77 MGAM (0.36) KDM4EMAPTPDGFRBPDGFRAPTGS2
SCHEMBL8477623 0.76 NPC1 (0.36) KDM4EMAPTPDGFRBPDGFRAPTGS2
SCHEMBL8478190 0.75 KDM4E (0.35) KDM4EMAPTPDGFRBPDGFRAPTGS2
SCHEMBL8478177 0.74 PTGS2 (0.39) MAPTPTGS2RAB9AKMT2AALDH1A1

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