SCHEMBL10423433

SCHEMBL10423433

COc1cc(OC)c2sc(Cn3nc(CC(=O)O)c4ccccc4c3=O)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 20/20 1.00

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
SCHEMBL10423434 0.84 AKR1B1 (0.72) AKR1B1
SCHEMBL10586477 0.82 AKR1B1 (0.70) AKR1B1
SCHEMBL10422659 0.80 AKR1B1 (1.00) AKR1B1
SCHEMBL1590287 0.79 AKR1B1 (1.00) AKR1B1
SCHEMBL1590803 0.79 AKR1B1 (1.00) AKR1B1
SCHEMBL10585047 0.79 AKR1B1 (1.00) AKR1B1
SCHEMBL6898198 0.76 AKR1B1 (1.00) AKR1B1
SCHEMBL10586788 0.75 AKR1B1 (1.00) AKR1B1
SCHEMBL1589816 0.74 AKR1B1 (1.00) AKR1B1
SCHEMBL6894085 0.74 AKR1B1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4939140-A ALDOSE REDUCTASE INHIBITORS PFIZER INC. (US) 1990-07-03 — — US disclosed
EP-0322153-A2 Heterocyclic oxophtalazinyl acetic acids PFIZER INC. (US) 1989-06-28 — — EP disclosed
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