SCHEMBL6409998

SCHEMBL6409998

CC(=O)Oc1ccc(C(=O)O)c(C(C)[Si](C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.56
ALDH1A1 P00352 6/20 0.47
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 4/20 0.41
PKM P14618 1/20 0.40
GAA P10253 4/20 0.40
GLA P06280 3/20 0.40
CFD P00746 1/20 0.40
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.39
FLT3 P36888 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL6442037 0.82 KDM4E (0.59) KDM4EALDH1A1MAPTMAPK1HSD17B10
SCHEMBL7675649 0.77 MAOB (0.54) ALDH1A1HPGD
SCHEMBL6236448 0.76 CA12 (0.48) ALDH1A1MAPTHSD17B10GAACA12
SCHEMBL9489701 0.76 KDM4E (0.52) KDM4EALDH1A1MAPTMAPK1HSD17B10
SCHEMBL4360840 0.76 KDM4E (0.73) KDM4EALDH1A1MAPTMAPK1HSD17B10
SCHEMBL17187941 0.75 KDM4E (0.43) KDM4EALDH1A1MAPTMAPK1GLA
SCHEMBL6871666 0.73 KDM4E (0.49) KDM4EALDH1A1MAPTMAPK1PKM
SCHEMBL9579625 0.73 KDM4E (0.59) KDM4EALDH1A1MAPTMAPK1HSD17B10
SCHEMBL7121659 0.73 KDM4E (0.69) KDM4EALDH1A1MAPTMAPK1HSD17B10
SCHEMBL6441929 0.73 KDM4E (0.69) KDM4EALDH1A1MAPTMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562951-A2 PORPHYRIN DERIVATIVES Photobiotics Ltd. (GB) 2005-08-17 EP disclosed
WO-2004046151-A2 PORPHYRIN DERIVATIVES PHOTOBIOTICS LIMITED (GB) 2004-06-03 WO disclosed