SCHEMBL9818906

SCHEMBL9818906

O=C(O)CC1(O)CC(Cc2ccccc2)Oc2ccc(Br)cc21

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 20/20 0.66

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
SCHEMBL10487420 1.00 AKR1B1 (0.66) AKR1B1
SCHEMBL9818912 1.00 AKR1B1 (0.66) AKR1B1
SCHEMBL10487800 0.84 AKR1B1 (0.58) AKR1B1
SCHEMBL27278870 0.81 AKR1B1 (0.75) AKR1B1
SCHEMBL10487452 0.80 AKR1B1 (1.00) AKR1B1
SCHEMBL10487431 0.78 AKR1B1 (0.67) AKR1B1
SCHEMBL27276603 0.77 AKR1B1 (0.41) AKR1B1
SCHEMBL10487455 0.76 AKR1B1 (1.00) AKR1B1
SCHEMBL9818973 0.75 MAPK1 (0.40) AKR1B1
SCHEMBL9818970 0.75 MAPK1 (0.40) AKR1B1

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-0230379-B1 CHROMAN- AND THIOCHROMAN-4-ACETIC ACIDS USEFUL IN THE TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1991-04-03 EP disclosed