SCHEMBL3652169

SCHEMBL3652169

C=CCNC(=O)O.CC/C=C(\O)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TSHR P16473 2/20 0.38
FAAH O00519 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
HPGD P15428 4/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL444658 0.79
SCHEMBL228542 0.79
Methyl Alcohol SCHEMBL4257818 0.77
SCHEMBL29988 0.77
Urethane SCHEMBL25271953 0.75 ALOX15 (0.56) ALDH1A1TSHRFAAHSMN1; SMN2MAPT
SCHEMBL29072942 0.75
Acrylic Acid SCHEMBL4796311 0.75 LMNA (0.50) ALDH1A1TSHRFAAHSMN1; SMN2MAPT
Water SCHEMBL11780636 0.74
Hydrochloric Acid SCHEMBL11168200 0.74
Ammonia Solution, Strong SCHEMBL6395522 0.74

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-2195397-A1 AQUEOUS DISPERSION Henkel AG & Co. KGaA (DE) 2010-06-16 EP disclosed
WO-2009047046-A1 AQUEOUS DISPERSION HENKEL AG & CO. KGAA (DE) 2009-04-16 WO disclosed