SCHEMBL9150274

SCHEMBL9150274

O=C(O)C(O)(C(=O)O)c1ccc2c(c1)CCCN2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ GAA P10253 2/20 0.57
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ACHE P22303 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40

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
SCHEMBL6490339 0.77 GAA (0.62) MAPTKDM4EGAACA12CA1
SCHEMBL761229 0.76 GAA (0.53) MAPTKDM4EGAACA12CA1
SCHEMBL3717613 0.76 GAA (0.57) MAPTKDM4EGAACA12CA1
SCHEMBL45202 0.74 KDM4E (1.00) MAPTKDM4EGAACA12CA1
SCHEMBL29673258 0.74 KDM4E (1.00) MAPTKDM4EGAACA12CA1
SCHEMBL24347717 0.73 GAA (0.51) MAPTKDM4EGAACA12CA1
SCHEMBL28039955 0.73 MAPT (0.73) MAPTKDM4EGAACA12CA1
SCHEMBL3625824 0.73 GAA (0.57) MAPTKDM4EGAACA12CA1
SCHEMBL9204876 0.72 GAA (0.48) MAPTKDM4EGAACA12CA1
Trifluoroacetic Acid SCHEMBL30058074 0.71 KDM4E (0.65) MAPTKDM4EGAACA12CA1

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-0363034-B1 Polycyclic dyes ZENECA LTD (GB) 1995-01-04 — — EP disclosed
EP-0605404-A2 Polycyclic dyes ZENECA LIMITED (GB) 1994-07-06 — — EP disclosed
US-5212313-A For polyester IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-05-18 — — US disclosed
US-5183888-A Reacting a phenyl tartronic acid with a dihydrobenzofuran, oxidizing, to get dihydrobenzodifuran IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-02 — — US disclosed
US-5084580-A Aniline dyes for polyester fabrics to give green and blue color IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-28 — — US disclosed
EP-0363034-A2 Polycyclic dyes ZENECA LIMITED (GB) 1990-04-11 — — EP disclosed
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