SCHEMBL8433342

SCHEMBL8433342

COc1cc(C(O)(C(=O)O)C(=O)O)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 3/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
APP P05067 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ADRA2B P18089 1/20 0.37
PTGS1 P23219 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KIF11 P52732 1/20 0.36
CFTR P13569 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36

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 0.83 HSD17B10 (0.51) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL17416735 0.81 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL8433249 0.80 MAPT (0.42) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL8432092 0.79 ESR1 (0.46) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL19261801 0.76 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL15456896 0.75 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL7097334 0.75 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL8432173 0.75 ESR1 (0.40) ALDH1A1HSD17B10HTTKDM4ESMN1; SMN2
SCHEMBL1143325 0.74 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4TSHRHSD17B10
SCHEMBL8136159 0.74 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4TSHRHSD17B10

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 8 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
EP-0570111-A1 Polycyclic dyes ZENECA LIMITED (GB) 1993-11-18 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