SCHEMBL9405945

SCHEMBL9405945

CC(O)NOCC(O)CO

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 2/20 0.33
AGTR1 P30556 1/20 0.33
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL25706379 0.86 LMNA (0.36) LMNAUSP2ALDH1A1TSHRMAPK1
SCHEMBL19091217 0.86 LMNA (0.36) LMNAUSP2ALDH1A1TSHRMAPK1
SCHEMBL6010265 0.77 KDM4E (0.35) LMNAUSP2ALDH1A1TSHRMAPK1
SCHEMBL1487958 0.75
SCHEMBL19080618 0.75
SCHEMBL6010216 0.74 KDM4E (0.37) LMNAUSP2KDM4EDUSP3MEN1
SCHEMBL9059583 0.74 LMNA (0.44) LMNAUSP2ALDH1A1TSHRMAPK1
SCHEMBL28949816 0.72
SCHEMBL28292461 0.71
SCHEMBL1487955 0.70

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
CN-1676120-A Method for preparing hard-soluble gel formulation WANQUAN YANGGUANG MEDICINE SCI (CN) 2005-10-05 CN disclosed
EP-0491723-B1 LIQUID DETERGENTS UNILEVER PLC (GB) 1994-11-17 EP disclosed
EP-0491723-A1 LIQUID DETERGENTS. UNILEVER PLC (GB) 1992-07-01 EP disclosed
WO-1991004314-A1 LIQUID DETERGENTS UNILEVER N.V. (NL) 1991-04-04 WO disclosed