SCHEMBL9160367

SCHEMBL9160367

CCc1cc(=O)oc2cccc(O)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
HTT P42858 4/20 0.64
GAA P10253 3/20 0.64
MAPK1 P28482 3/20 0.64
HPGD P15428 1/20 0.64
PPARG P37231 1/20 0.64
MAPK10 P53779 1/20 0.64
NCOA2 Q15596 1/20 0.64
RXFP1 Q9HBX9 1/20 0.64
HSD17B3 P37058 2/20 0.53
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MCL1 Q07820 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
HTR2B P41595 3/20 0.47

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
SCHEMBL15842559 0.84 ALDH1A1 (0.51) ALDH1A1HTTGAAMAPK1HPGD
SCHEMBL5114485 0.80 CA9 (0.60) ALDH1A1MAPK1HPGDKDM4EMEN1
SCHEMBL3778775 0.79 ALDH1A1 (0.75) ALDH1A1HTTGAAMAPK1HPGD
SCHEMBL4930754 0.79 ALDH1A1 (0.64) ALDH1A1HTTGAAMAPK1HPGD
SCHEMBL10847397 0.77 MEN1 (0.54) ALDH1A1MAPK1HPGDKDM4EMEN1
SCHEMBL10794104 0.75 CA12 (0.50) ALDH1A1MAPK1HPGDKDM4EMEN1
SCHEMBL10848826 0.75 AR (0.50) ALDH1A1GAAMAPK1HPGDKDM4E
SCHEMBL2269457 0.75 MAPT (0.43) ALDH1A1MAPK1HPGDKDM4EMEN1
SCHEMBL10790754 0.75 MCL1 (0.54) ALDH1A1GAAHPGDHSD17B3KDM4E
SCHEMBL115397 0.75 HTR2B (0.64) ALDH1A1MAPK1HPGDMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0359138-B1 Stabilization and reduction of background fluorescence of hydroxy coumarin ester enzyme substrates DU PONT (US) 1995-01-25 EP disclosed
US-5362627-A Stabilization and reduction of background fluorescence of hydroxy coumarin ester enzyme substrates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-11-08 US disclosed
EP-0359138-A2 Stabilization and reduction of background fluorescence of hydroxy coumarin ester enzyme substrates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-21 EP disclosed
EP-0111746-B1 SULFONIC-ACID ESTERS OF HYDROXYCOUMARINES, THEIR PREPARATION AND MEDICINES CONTAINING THEM BASF Aktiengesellschaft (DE) 1987-09-16 EP disclosed
US-4618622-A ANTIDEPRESSANTS, ANTIALLERGENS BASF AKTIENGESELLSCHAFT (DE) 1986-10-21 US disclosed
EP-0111746-A2 Sulfonic-acid esters of hydroxycoumarines, their preparation and medicines containing them BASF Aktiengesellschaft (DE) 1984-06-27 EP disclosed