SCHEMBL9007525

SCHEMBL9007525

O=C(O)CC1=C(Cc2ccc3c(Cl)cccc3c2)C(=O)CCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.41
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
SLC22A12 Q96S37 9/20 0.36
LDHA P00338 1/20 0.35
F10 P00742 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
CA2 P00918 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL9007566 0.94 AKR1B1 (0.42) AKR1B1THRATHRBSLC22A12LDHA
SCHEMBL9007517 0.86 AKR1B1 (0.41) AKR1B1THRATHRBRXRARXRB
SCHEMBL9007571 0.83 NR1H4 (0.44) AKR1B1PTGDR2
SCHEMBL9007553 0.82 NQO1 (0.37) AKR1B1THRATHRBF10
SCHEMBL9007515 0.81 KMT2A (0.39) AKR1B1THRATHRBSLC22A12
SCHEMBL9007535 0.78 LDHA (0.32) AKR1B1LDHA
SCHEMBL9007582 0.78 KMT2A (0.40) AKR1B1THRATHRBSLC22A12
SCHEMBL11740657 0.77 AKR1B1 (0.60) AKR1B1THRATHRBSLC22A12CA2
SCHEMBL9007552 0.75 GAA (0.40) AKR1B1PTGDR2
SCHEMBL9007576 0.71 MEN1 (0.32)

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