SCHEMBL9815036

SCHEMBL9815036

OCCCCCCCCCCCc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
ALDH1A1 P00352 7/20 0.44
HPGD P15428 6/20 0.44
HSD17B10 Q99714 5/20 0.44
TSHR P16473 3/20 0.44
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 5/20 0.42
POLB P06746 2/20 0.40
HTT P42858 1/20 0.40
GBA1 P04062 2/20 0.39
UGCG Q16739 2/20 0.39
GBA2 Q9HCG7 2/20 0.39
CYP1A2 P05177 4/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ERBB2 P04626 1/20 0.38
FYN P06241 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
SCHEMBL8979416 1.00 KMT2A (0.64) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL15511217 1.00 KMT2A (0.64) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL10770344 1.00 KMT2A (0.64) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL4425340 1.00 KMT2A (0.64) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL2560886 1.00 KMT2A (0.64) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL29364503 0.98 KMT2A (0.66) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL506054 0.98 KMT2A (0.66) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL500630 0.93 KMT2A (0.68) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL6412633 0.91 KMT2A (0.69) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL27523973 0.88 MEN1 (0.50) KMT2AMEN1ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0447949-A1 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-09-25 EP claimed
EP-0417535-A2 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-03-20 EP claimed
EP-4119598-A1 NANOCOMPOSITE MATERIALS COMPRISING MECHANICAL LIGANDS Nanocore ApS (DK) 2023-01-18 EP disclosed
US-20200354220-A1 COMPOSITE MATERIALS COMPRISING MECHANICAL LIGANDS NANOCORE APS (DK) 2020-11-12 US disclosed
EP-0447949-A1 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-09-25 EP disclosed
EP-0417535-A2 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-03-20 EP disclosed
EP-0417535-A2 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-03-20 EP disclosed