SCHEMBL8433249

SCHEMBL8433249

CCCOc1cc(C(O)(C(=O)O)C(=O)O)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
CYP1A2 P05177 5/20 0.41
CYP2D6 P10635 3/20 0.41
SCN1A P35498 3/20 0.41
SCN2A Q99250 3/20 0.41
SCN3A Q9NY46 3/20 0.41
KCNH2 Q12809 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41

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
SCHEMBL8431885 0.88 HSD17B10 (0.51) MAPTKDM4EKMT2AALDH1A1GAA
SCHEMBL8433342 0.80 ALDH1A1 (0.47) KDM4EALDH1A1HTTTSHRHSD17B10
SCHEMBL19250263 0.79 KDM4E (0.49) MAPTKDM4EKMT2AALDH1A1GAA
SCHEMBL8432173 0.75 ESR1 (0.40) MAPTKDM4EKMT2AALDH1A1GAA
SCHEMBL8436002 0.75 ESR1 (0.35) MAPTKDM4EKMT2AALDH1A1GAA
SCHEMBL8432092 0.73 ESR1 (0.46) MAPTKDM4EKMT2AALDH1A1GAA
SCHEMBL4389330 0.72 MAPT (0.51) MAPTKDM4EKMT2AALDH1A1GAA
SCHEMBL30433987 0.71 GAA (0.70) MAPTKDM4EKMT2AALDH1A1GAA
SCHEMBL9069655 0.71 ALDH1A1 (0.71) MAPTKDM4EKMT2AALDH1A1GAA
SCHEMBL6944870 0.71 GAA (0.70) MAPTKDM4EKMT2AALDH1A1GAA

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-0605404-B1 Polycyclic dyes BASF AG (DE) 1999-12-08 EP disclosed
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
EP-0363034-A2 Polycyclic dyes ZENECA LIMITED (GB) 1990-04-11 EP disclosed