SCHEMBL6410000

SCHEMBL6410000

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.56
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 4/20 0.43
PKM P14618 1/20 0.43
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 3/20 0.41
CFD P00746 2/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
GLA P06280 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPSE Q9Y251 1/20 0.39
HPGD P15428 2/20 0.39
FLT3 P36888 1/20 0.38
USP2 O75604 1/20 0.38
CYP2C19 P33261 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
SCHEMBL7179116 0.82 KDM4E (0.59) KDM4EMAPTMAPK1ALDH1A1PKM
SCHEMBL10480044 0.81 KDM4E (0.67) KDM4EMAPTMAPK1ALDH1A1PKM
SCHEMBL7675644 0.80 LTB4R (0.60) ALDH1A1NPC1HPGD
SCHEMBL6236449 0.78 CA12 (0.47) MAPTALDH1A1HSD17B10POLBCA12
SCHEMBL17187944 0.77 KDM4E (0.42) KDM4EPOLBGLA
SCHEMBL9579625 0.76 KDM4E (0.59) KDM4EMAPTMAPK1ALDH1A1PKM
SCHEMBL4360840 0.76 KDM4E (0.73) KDM4EMAPTMAPK1ALDH1A1PKM
SCHEMBL5713415 0.75 PPARA (0.36) ALDH1A1HSD17B10CFDPOLB
SCHEMBL17187947 0.75 GABRP (0.35) KDM4EHPSE
SCHEMBL10828174 0.73 KDM4E (0.56) KDM4EMAPTMAPK1ALDH1A1PKM

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