SCHEMBL8020747

SCHEMBL8020747

CC(=O)OC(CNc1cccc(C)c1)OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HTT P42858 1/20 0.50
MAPK1 P28482 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.45
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
LMNA P02545 2/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL11800387 0.84 HPGD (0.51) MAPTCYP1A2CYP2C19CYP2C9HTT
SCHEMBL28388931 0.84 RAB9A (0.53) MAPTCYP1A2HSD17B10MAPK1POLB
SCHEMBL11811090 0.84 ALDH1A1 (0.51) MAPTCYP3A4GAAMEN1KMT2A
SCHEMBL11592483 0.82 MAPT (0.49) MAPTCYP3A4HSD17B10HTTGAA
SCHEMBL11079274 0.79 MAPT (0.58) MAPTCYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL8601662 0.78 MAPT (0.56) MAPTCYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL24307977 0.76 MAPT (0.55) MAPTCYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL2492535 0.75 MAPT (0.62) MAPTCYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL31258062 0.75 MAPT (0.62) MAPTCYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL10994611 0.75 HSD17B10 (0.53) MAPTCYP3A4HSD17B10HTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6099625-A Ink composition ZENECA LIMITED (GB) 2000-08-08 US disclosed
EP-0823927-A2 INK COMPOSITION ZENECA LIMITED (GB) 1998-02-18 EP disclosed
WO-1996034916-A2 INK COMPOSITION ZENECA LIMITED (GB) 1996-11-07 WO disclosed