SCHEMBL9007566

SCHEMBL9007566

O=C(O)CC1=C(Cc2ccc3c(Cl)cccc3c2)C(=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.42
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
SLC22A12 Q96S37 10/20 0.37
LDHA P00338 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
CA2 P00918 1/20 0.33
GAA P10253 1/20 0.33
F10 P00742 1/20 0.32

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
SCHEMBL9007525 0.94 AKR1B1 (0.41) AKR1B1THRATHRBSLC22A12LDHA
SCHEMBL9007535 0.83 LDHA (0.32) AKR1B1LDHA
SCHEMBL9007582 0.81 KMT2A (0.40) AKR1B1THRATHRBSLC22A12
SCHEMBL9007517 0.81 AKR1B1 (0.41) AKR1B1THRATHRB
SCHEMBL9007553 0.78 NQO1 (0.37) AKR1B1THRATHRBF10
SCHEMBL11740657 0.78 AKR1B1 (0.60) AKR1B1THRATHRBSLC22A12CA2
SCHEMBL9007515 0.78 KMT2A (0.39) AKR1B1THRATHRBSLC22A12
SCHEMBL9007571 0.77 NR1H4 (0.44) AKR1B1PTGDR2
SCHEMBL9007552 0.70 GAA (0.40) AKR1B1PTGDR2GAA
SCHEMBL11462511 0.67 AKR1B1 (0.56) AKR1B1THRATHRBSLC22A12CA2

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
US-5482968-A ENZYME INHIBITORS, HYPOGLYCEMIC AGENTS AND VASCULAR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-09 US claimed
US-5399588-A Diabetes treatment AMERICAN HOME PRODUCTS CORPORATION (US) 1995-03-21 US claimed
US-5482968-A ENZYME INHIBITORS, HYPOGLYCEMIC AGENTS AND VASCULAR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-09 US disclosed
US-5399588-A Diabetes treatment AMERICAN HOME PRODUCTS CORPORATION (US) 1995-03-21 US disclosed