SCHEMBL9513009

SCHEMBL9513009

O=P(O)(O)Oc1cccc(C2CCc3ccccc3O2)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.40
LMNA P02545 1/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
SLC8A1 P32418 10/20 0.39

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
SCHEMBL6439502 0.88 LMNA (0.39) LMNAESR1ESR2SLC8A1
SCHEMBL2960656 0.81 LMNA (0.55) LMNASLC8A1
SCHEMBL29974296 0.81 LMNA (0.55) LMNASLC8A1
Flavane SCHEMBL10624050 0.80 ESR1 (0.48) ESR1ESR2SLC8A1
Flavane SCHEMBL27764824 0.79 ESR1 (0.47) ESR1ESR2SLC8A1
SCHEMBL1542441 0.76 ESR1 (0.57) ESR1ESR2SLC8A1
SCHEMBL29974120 0.76 ESR1 (0.57) ESR1ESR2SLC8A1
Flavane SCHEMBL26661841 0.75 ESR1 (0.54) ESR1ESR2SLC8A1
Flavane SCHEMBL123287 0.73 ESR1 (0.51) ESR1ESR2SLC8A1
Flavane SCHEMBL14394530 0.73 ESR1 (0.51) ESR1ESR2SLC8A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274425-B1 Pyruvate oxidase, its preparation and use ASAHI CHEMICAL IND (JP) 1993-12-15 EP claimed
EP-0274425-A2 Pyruvate oxidase, its preparation and use ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1988-07-13 EP claimed
EP-0274425-B1 Pyruvate oxidase, its preparation and use ASAHI CHEMICAL IND (JP) 1993-12-15 EP disclosed
EP-0274425-A2 Pyruvate oxidase, its preparation and use ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1988-07-13 EP disclosed