SCHEMBL9156166

SCHEMBL9156166

Cc1ccc(C(O)(C(=O)O)C(=O)O)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 4/20 0.42
CASP1 P29466 1/20 0.42
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 2/20 0.38
CHEK1 O14757 1/20 0.37
FYN P06241 1/20 0.37
PDGFRB P09619 1/20 0.37
PIM1 P11309 1/20 0.37
FGFR1 P11362 1/20 0.37
FLT1 P17948 1/20 0.37
GRK5 P34947 1/20 0.37
MAP2K2 P36507 1/20 0.37
MAPK8 P45983 1/20 0.37

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
SCHEMBL8432092 0.87 ESR1 (0.46) TDP1MAPTALDH1A1KDM4EHPGD
SCHEMBL18899967 0.76 ALDH1A1 (0.48) TDP1MAPTALDH1A1CASP1KDM4E
SCHEMBL8433818 0.76 POLB (0.46) TDP1MAPTALDH1A1KDM4ECYP3A4
SCHEMBL8432173 0.75 ESR1 (0.40) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23133350 0.75 ALDH1A1 (0.46) TDP1MAPTALDH1A1CASP1KDM4E
Potassium SCHEMBL8958438 0.75 POLB (0.45) TDP1MAPTALDH1A1KDM4ECYP3A4
SCHEMBL19175473 0.75 ALDH1A1 (0.46) TDP1MAPTALDH1A1CASP1KDM4E
SCHEMBL8433213 0.74 ALDH1A1 (0.43) TDP1MAPTALDH1A1CASP1KDM4E
SCHEMBL8433342 0.74 ALDH1A1 (0.47) TDP1ALDH1A1KDM4EHSD17B10CYP3A4
SCHEMBL5067200 0.72 SMN1; SMN2 (0.49) TDP1MAPTALDH1A1CASP1HSD17B10

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