SCHEMBL7974878

SCHEMBL7974878

COC1=C(OC)C(=O)C2=C(CCC(CCOc3cc(OC)c(OC)c(OC)c3)CC2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35

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
SCHEMBL7974398 0.87 MAOB (0.39) HPGDDRD2DRD4MAOB
SCHEMBL7971449 0.82 MAOB (0.44) HPGDMAOB
SCHEMBL7974787 0.82 TEAD1 (0.45) HPGDDRD2DRD4MAOBNPC1
SCHEMBL7974650 0.80 MGAT2 (0.42) HPGDSMN1; SMN2MAOBKMT2AMEN1
SCHEMBL7961502 0.79 MAOB (0.40) HPGDLMNAMAOBKMT2AMEN1
SCHEMBL7974962 0.79 MAOB (0.40) HPGDMAOBNPC1
SCHEMBL7971414 0.78 PPARD (0.43) HPGDMAOB
SCHEMBL7974454 0.77 HRH3 (0.43) HPGDSMN1; SMN2MAOBKMT2AMEN1
SCHEMBL7961113 0.77 HPGD (0.42) HPGDMAOBKMT2A
SCHEMBL7974340 0.76 CHRNB2 (0.44) DRD2

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-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed