SCHEMBL9316441

SCHEMBL9316441

COc1ccc(C2CCc3ccccc32)c(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
PIN1 Q13526 2/20 0.45
GID4 Q8IVV7 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
PTGS2 P35354 1/20 0.43
CETP P11597 1/20 0.43
PDE4D Q08499 3/20 0.42
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41

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
SCHEMBL28374873 0.87 CETP (0.49) KDM4ETDP1PIN1GID4TAS1R3
SCHEMBL29827090 0.87 CETP (0.49) KDM4ETDP1PIN1GID4TAS1R3
SCHEMBL9317569 0.76 CETP (0.47) PIN1CETPTUBB4ATUBBTUBA3C
SCHEMBL5189199 0.71 POLB (0.40) KDM4ETDP1PTGS2TUBB4ATUBB
SCHEMBL20856166 0.71 GID4 (0.63) KDM4ETDP1GID4TAS1R3TAS1R1
SCHEMBL4274905 0.71 PIN1 (0.46) KDM4EPIN1GID4CETPPDE4D
SCHEMBL1754973 0.71 GID4 (0.63) KDM4ETDP1GID4TAS1R3TAS1R1
SCHEMBL8502186 0.70 POLB (0.45) KDM4ETUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8849605 0.70 DDB1 (0.53) HTR2B
SCHEMBL10573047 0.69 TUBB4A (0.54) KDM4ETDP1TUBB4ATUBBTUBA3C

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
EP-0625209-A1 METHOD FOR ASSAYING THE SOD ACTIVITY BY USING A SELF-OXIDIZABLE COMPOUND NECESSARY FOR ITS IMPLEMENTATION, SELF-OXIDIZABLE COMPOUNDS AND PREPARATION THEREOF. BIOXYTECH (FR) 1994-11-23 EP disclosed