SCHEMBL9007571

SCHEMBL9007571

O=C(O)CC1=C(Cc2ccc3ccccc3c2)C(=O)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.44
AKR1B1 P15121 1/20 0.44
CYP1A2 P05177 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.41
TBXA2R P21731 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGFR P43088 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
PTGDR Q13258 1/20 0.40
NQO1 P15559 2/20 0.40
HCAR2 Q8TDS4 1/20 0.39
SLC13A5 Q86YT5 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9007517 0.83 AKR1B1 (0.41) AKR1B1NQO1MEN1KMT2A
SCHEMBL9007525 0.83 AKR1B1 (0.41) AKR1B1PTGDR2
SCHEMBL9007533 0.79 PTPN7 (0.49) CYP1A2PTGDR2TBXA2RPTGER4PTGFR
SCHEMBL9007552 0.77 GAA (0.40) AKR1B1PTGDR2ALDH1A1LMNAKMT2A
SCHEMBL8829522 0.75 ALOX5 (0.45) CYP1A2TBXA2RPTGER4PTGFRPTGER3
SCHEMBL9007498 0.74 PTPN7 (0.50) CYP1A2PTGDR2TBXA2RPTGER4PTGFR
SCHEMBL6238367 0.74 NR1H4 (0.63) NR1H4AKR1B1CYP1A2PTGDR2TBXA2R
2-Naphthylacetic Acid SCHEMBL28641469 0.73 NR1H4 (0.71) NR1H4AKR1B1CYP1A2SLC13A5MEN1
2-Naphthylacetic Acid SCHEMBL238445 0.73 NR1H4 (0.71) NR1H4AKR1B1CYP1A2SLC13A5MEN1
2-Naphthylacetic Acid SCHEMBL29366514 0.73 NR1H4 (0.71) NR1H4AKR1B1CYP1A2SLC13A5MEN1

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