SCHEMBL368598

SCHEMBL368598

C=CCN(C(=O)O)C(C)O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.31
FAAH O00519 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL2941786 0.84 KMT2A (0.39) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL2362803 0.81 MEN1 (0.33) ALDH1A1KMT2AMEN1LMNAFAAH
SCHEMBL2721038 0.78 ALDH1A1 (0.34) ALDH1A1LMNA
SCHEMBL3948554 0.78 KMT2A (0.35) ALDH1A1KMT2AMEN1KDM4EDPP4
SCHEMBL21403663 0.78 LMNA (0.33) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL18148922 0.78 KMT2A (0.35) ALDH1A1KMT2AMEN1KDM4EDPP4
SCHEMBL2872137 0.78 MEN1 (0.32) ALDH1A1KMT2AMEN1
SCHEMBL17937940 0.77 GRIK1 (0.33) ALDH1A1LMNA
SCHEMBL22283207 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4663815 0.74 ALDH1A1 (0.31) ALDH1A1

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-2490802-A1 SEMI-CONTINUOUS METHOD FOR EMULSION POLYMERISATION Wacker Chemie AG (DE) 2012-08-29 EP disclosed
WO-2012007354-A1 SEMI-CONTINUOUS METHOD FOR EMULSION POLYMERISATION WACKER CHEMIE AG (DE) 2012-01-19 WO disclosed
EP-0555628-B1 Process for preparing isocyanates NIPPON CATALYTIC CHEM IND (JP) 1996-05-29 EP disclosed
US-5326903-A Thermal decomposition of carbamate NIPPON SHOKUBAI CO., LTD. (JP) 1994-07-05 US disclosed
EP-0555628-A2 Process for preparing isocyanates NIPPON SHOKUBAI CO., LTD. (JP) 1993-08-18 EP disclosed