SCHEMBL3686309

SCHEMBL3686309

CCCCNCC/C=C(\C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
PAOX Q6QHF9 1/20 0.40
EP300 Q09472 1/20 0.40
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH7 P40394 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 1/20 0.35
EPHX1 P07099 2/20 0.34
S1PR2 O95136 5/20 0.34
S1PR4 O95977 5/20 0.34
S1PR1 P21453 5/20 0.34
S1PR3 Q99500 5/20 0.34
S1PR5 Q9H228 1/20 0.34

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
SCHEMBL246136 1.00 ALOX15 (0.42) ALOX15PAOXEP300TSHRALDH1A1
SCHEMBL4276364 0.95 ALDH1A1 (0.46) ALOX15PAOXEP300TSHRALDH1A1
SCHEMBL4275964 0.93 EP300 (0.46) PAOXEP300TSHRALDH1A1ADH1B
SCHEMBL10753758 0.93 EP300 (0.46) PAOXEP300TSHRALDH1A1ADH1B
SCHEMBL4278624 0.93 EP300 (0.46) PAOXEP300TSHRALDH1A1ADH1B
SCHEMBL4265921 0.93 EP300 (0.46) PAOXEP300TSHRALDH1A1ADH1B
SCHEMBL432888 0.93 EP300 (0.44) ALOX15PAOXEP300TSHRALDH1A1
Acrylic Acid SCHEMBL6129260 0.92 ALOX15 (0.37) ALOX15PAOXEP300TSHRALDH1A1
SCHEMBL11132681 0.91 EP300 (0.47) ALOX15PAOXEP300TSHRALDH1A1
SCHEMBL637549 0.89 PAOX (0.42) ALOX15PAOXEP300ADH1BADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698666-B1 stabilized unsaturated polyester resin mixtures BYK CHEMIE GMBH (DE) 2010-04-28 EP disclosed
EP-1698666-A1 stabilized unsaturated polyester resin mixtures Byk-Chemie GmbH (DE) 2006-09-06 EP disclosed
US-4143949-A ELECTROLESS GLOW DISCHARGE, RADIATION POLYMERIZATION BAUSCH & LOMB INCORPORATED (US) 1979-03-13 US disclosed