SCHEMBL1990315

SCHEMBL1990315

NC(N)COCC(O)CO

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
LMNA P02545 4/20 0.40
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 3/20 0.34
THRB P10828 1/20 0.33
CYP1A2 P05177 2/20 0.31
AGTR1 P30556 1/20 0.31
DUSP3 P51452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1638881 0.86 LMNA (0.53) USP2LMNAALDH1A1KDM4ETHRB
SCHEMBL30754 0.86 LMNA (0.53) USP2LMNAALDH1A1KDM4ETHRB
SCHEMBL3966110 0.84 USP2 (0.43) USP2LMNAALDH1A1KDM4ETHRB
SCHEMBL15894238 0.83 LMNA (0.50) USP2LMNAALDH1A1KDM4ETHRB
SCHEMBL10329835 0.83 LMNA (0.50) USP2LMNAALDH1A1KDM4ETHRB
SCHEMBL25238278 0.83 LMNA (0.50) USP2LMNAALDH1A1KDM4ETHRB
Glycerin SCHEMBL2582537 0.83 LMNA (0.60) USP2LMNAALDH1A1KDM4ETHRB
SCHEMBL22279336 0.83 LMNA (0.50) USP2LMNAALDH1A1KDM4ETHRB
Glycerin SCHEMBL314170 0.83 LMNA (0.60) USP2LMNAALDH1A1KDM4ETHRB
SCHEMBL6249798 0.83 LMNA (0.50) USP2LMNAALDH1A1KDM4ETHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2512446-A1 COMPOSITION OF DEXIBUPROFEN TRANSDERMAL HYDROGEL Shasun Pharmaceuticals Limited (IN) 2012-10-24 EP disclosed
CN-102665681-A Composition of dexibuprofen transdermal hydrogel SHASUN PHARMACEUTICALS LTD 2012-09-12 CN disclosed
WO-2011073998-A1 COMPOSITION OF DEXIBUPROFEN TRANSDERMAL HYDROGEL SHASUN PHARMACEUTICALS LIMITED (IN) 2011-06-23 WO disclosed
US-20080096784-A1 Composition for Cleaning Dental Instruments and Process VOCO GMBH (DE) 2008-04-24 US disclosed