SCHEMBL8477376

SCHEMBL8477376

COc1ccc(-c2[c]c(CCO)c(C)c(-c3ccc(OC)c(C)c3)c2C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.36
PTGS1 P23219 2/20 0.35
FFAR1 O14842 2/20 0.33
S1PR1 P21453 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
GRK6 P43250 1/20 0.32
PDE5A O76074 1/20 0.32
PDE4A P27815 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE1C Q14123 1/20 0.32
PDE3A Q14432 1/20 0.32
PDCD1 Q15116 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
SCHEMBL8479043 0.88 MAPK1 (0.37) PTGS2PTGS1FFAR1KDM4EMAPT
SCHEMBL8583197 0.84 PTGS2 (0.35) PTGS2PTGS1FFAR1S1PR1KDM4E
SCHEMBL8582978 0.84 PTGS2 (0.35) PTGS2PTGS1FFAR1S1PR1KDM4E
SCHEMBL8476204 0.81 PTGS2 (0.34) PTGS2PTGS1FFAR1S1PR1KDM4E
SCHEMBL8477185 0.79 KDM4E (0.38) PTGS2PTGS1FFAR1KDM4EMAPT
SCHEMBL8478886 0.79 KCNH2 (0.34) PTGS2PTGS1S1PR1
SCHEMBL8480091 0.79 PTGS2 (0.47) PTGS2LMNA
SCHEMBL8477928 0.79 PTGS2 (0.38) PTGS2PTGS1FFAR1S1PR1KDM4E
SCHEMBL8480653 0.78 SLC10A2 (0.39) PTGS2PTGS1FFAR1KDM4EMAPT
SCHEMBL8479336 0.75 GCGR (0.31) PTGS2

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