SCHEMBL2009659

SCHEMBL2009659

CC(C)NC(=O)CCCCO[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
FAAH O00519 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 2/20 0.40
NLRP1 Q9C000 1/20 0.40
ESR2 Q92731 2/20 0.36
EPHX2 P34913 1/20 0.36
DPP4 P27487 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PTGS2 P35354 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL20113578 0.98 KMT2A (0.54) MEN1FAAHMAPK1KMT2ASMN1; SMN2
SCHEMBL2011698 0.95 MEN1 (0.49) MEN1FAAHMAPK1KMT2ASMN1; SMN2
SCHEMBL2010166 0.88 MEN1 (0.43) MEN1FAAHMAPK1KMT2ASMN1; SMN2
SCHEMBL20104863 0.86 KMT2A (0.40) MEN1FAAHMAPK1KMT2ASMN1; SMN2
SCHEMBL13396654 0.84 FAAH (0.50) MEN1FAAHMAPK1KMT2ASMN1; SMN2
SCHEMBL13396604 0.81 FAAH (0.38) MEN1FAAHMAPK1KMT2AESR2
SCHEMBL16124647 0.81 FAAH (0.36) MEN1FAAHMAPK1KMT2AHPGD
SCHEMBL2013185 0.81 ESR2 (0.39) ESR2PTGS2CA12CA1CA2
SCHEMBL13396822 0.81 FAAH (0.46) MEN1FAAHMAPK1KMT2ASMN1; SMN2
SCHEMBL16124640 0.80 PTGS2 (0.37) KMT2AESR2DPP4ALDH1A1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365489-B2 Nitrooxy alkanoic acids and derivatives thereof in feed for reducing methane emission in ruminants, and/or to improve ruminant performance DSM IP ASSETS B.V. (NL) 2016-06-14 US disclosed
US-8784871-B2 Nitrooxy alkanoic acids and derivatives thereof in feed for reducing methane emission in ruminants, and/or to improve ruminant performance DSM IP ASSETS B.V. (NL) 2014-07-22 US disclosed
US-20140134282-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2014-05-15 US disclosed
EP-2509435-B1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS BV (NL) 2014-02-26 EP disclosed
US-20120315339-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2012-12-13 US disclosed
EP-2509435-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP Assets B.V. (NL) 2012-10-17 EP disclosed
WO-2011070133-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2011-06-16 WO disclosed
US-20110086847-A1 THIADIAZOLE MODULATORS OF BETA ADRENERGIC RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2011-04-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110086847-A1 THIADIAZOLE MODULATORS OF BETA ADRENERGIC RECEPTOR ADRB3, ADRB2, ADRB1 MEN1 4579/4885FAAH 1467/4885MAPK1 3786/4885
US-20140134282-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE PIGS, TECR, CYP4X1 MEN1 4082/4885FAAH 195/4885MAPK1 4467/4885
US-20120315339-A1 NITROOXY ALKANOIC ACIDS AND DERIVATIVES THEREOF IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE PIGS, TECR, CYP4X1 MEN1 4082/4885FAAH 195/4885MAPK1 4467/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.