SCHEMBL9007533

SCHEMBL9007533

O=C(O)COC1=C(Cc2ccc3ccccc3c2)C(=O)CCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.49
CYP1A2 P05177 1/20 0.41
PTPN1 P18031 2/20 0.41
ALOX15 P16050 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
PLA2G1B P04054 1/20 0.40
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
FFAR1 O14842 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGFR P43088 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
PTGDR Q13258 1/20 0.38
NQO1 P15559 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
SCHEMBL9007498 0.94 PTPN7 (0.50) PTPN7CYP1A2PTPN1ALOX15TSHR
SCHEMBL9007551 0.84 WDR5 (0.35) PTPN7PTPN1ALOX15TSHRHSD17B10
SCHEMBL9007515 0.84 KMT2A (0.39) PTPN7PTPN1ALOX15TSHRHSD17B10
SCHEMBL9007571 0.79 NR1H4 (0.44) CYP1A2FFAR1TBXA2RPTGER4PTGFR
SCHEMBL9007582 0.78 KMT2A (0.40) PTPN7PTPN1TSHRKMT2AHPGD
SCHEMBL8829542 0.74 PDE10A (0.43) CYP1A2MEN1KMT2A
SCHEMBL8829522 0.72 ALOX5 (0.45) CYP1A2TBXA2RPTGER4PTGFRPTGER3
SCHEMBL25640 0.67 PTPN7 (1.00) PTPN7ALOX15FFAR1MEN1KMT2A
SCHEMBL29367022 0.67 PTPN7 (1.00) PTPN7ALOX15FFAR1MEN1KMT2A
SCHEMBL5970465 0.67 PTPN7 (0.57) PTPN7CYP1A2MAOBFFAR1MEN1

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