SCHEMBL15375288

SCHEMBL15375288

CCCCc1c(O)[nH]c(=O)[nH]c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 5/20 0.62
KDM4E B2RXH2 4/20 0.54
PKM P14618 1/20 0.54
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPT P10636 3/20 0.45
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.41
KDM4A O75164 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
FFAR3 O14843 1/20 0.40
HCAR3 P49019 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40

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
SCHEMBL648709 0.80 TYMP (0.67) TYMPKDM4EPKMALDH1A1HPGD
SCHEMBL17551856 0.79 MAPT (0.50) TYMPALDH1A1MAPTLMNAGAA
Hydrochloric Acid SCHEMBL11431885 0.75 TYMP (0.56) TYMPKDM4EPKM
SCHEMBL11431884 0.75 TYMP (0.60) TYMPKDM4EPKMALDH1A1HPGD
SCHEMBL11020719 0.72 TYMP (0.58) TYMP
SCHEMBL2515838 0.71 TYMP (0.44) TYMPKDM4EPKMALDH1A1HPGD
SCHEMBL7580753 0.70 KDM4E (0.44) TYMPKDM4EPKMALDH1A1HPGD
SCHEMBL12603652 0.70 HCAR2 (0.53) TYMPKDM4EPKMFFAR3HCAR3
SCHEMBL4975707 0.69 TYMP (0.62) TYMPKDM4EPKMALDH1A1HPGD
SCHEMBL5182348 0.69 UPP1 (0.64) KDM4EPKMALDH1A1HPGDHSD17B10

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-2662150-B1 Mixing device for multi-component systems HERAEUS MEDICAL GMBH (DE) 2018-11-14 EP disclosed
EP-2662150-A2 Mixing device for multi-component systems Heraeus Medical GmbH (DE) 2013-11-13 EP disclosed