SCHEMBL5512441

SCHEMBL5512441

COc1c(C(=O)O)ccnc1NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ASPH Q12797 7/20 0.46
KDM8 Q8N371 7/20 0.46
KDM4E B2RXH2 5/20 0.46
HTT P42858 3/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM5B Q9UGL1 3/20 0.38
KDM5A P29375 3/20 0.37
KDM4C Q9H3R0 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL2179962 0.73 DHODH (0.58) KDM4EHTTNPC1ALDH1A1RAB9A
SCHEMBL16475154 0.73 LMNA (0.47) ASPHKDM8KDM4EHTTNPC1
SCHEMBL1554576 0.73 LMNA (0.47) ASPHKDM8KDM4EHTTNPC1
SCHEMBL17813592 0.71 LMNA (0.50) ASPHKDM8KDM4EHTTALDH1A1
SCHEMBL29084258 0.71 NAPRT (0.55) ASPHKDM8KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL2202243 0.69 TDP1 (0.59) KDM4EHTTALDH1A1PKMMAPK1
SCHEMBL30236847 0.69 LMNA (0.44) ASPHKDM8KDM4EHTTNPC1
SCHEMBL11080584 0.69 SCD (0.46) ASPHKDM8KDM4ERAB9ANPSR1
SCHEMBL25405415 0.68 LMNA (0.43) ASPHKDM8KDM4EHTTRAB9A
SCHEMBL31032191 0.68 LMNA (0.43) ASPHKDM8KDM4EHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470258-B1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2013-08-28 EP disclosed
US-7250456-B2 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2007-07-31 US disclosed
US-20050148702-A1 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2005-07-07 US disclosed
EP-1470258-A1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL Ledertechnik GmbH (DE) 2004-10-27 EP disclosed
WO-2003064707-A1 COMPOSITIONS AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2003-08-07 WO disclosed