SCHEMBL2010166

SCHEMBL2010166

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FAAH O00519 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
NLRP1 Q9C000 1/20 0.36
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.32
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
VHL P40337 1/20 0.32

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
SCHEMBL2011698 0.89 MEN1 (0.49) MEN1KMT2AFAAHMAPK1HPGD
SCHEMBL2009659 0.88 MEN1 (0.51) MEN1KMT2AFAAHMAPK1HPGD
SCHEMBL20113578 0.86 KMT2A (0.54) MEN1KMT2AFAAHMAPK1HPGD
SCHEMBL2014537 0.81 SMN1; SMN2 (0.40) MEN1KMT2AFAAHMAPK1HPGD
SCHEMBL2012330 0.79 LMNA (0.40) MEN1KMT2AALDH1A1POLBPTGS2
SCHEMBL1562242 0.76 MEN1 (0.48) MEN1KMT2AFAAHMAPK1HPGD
SCHEMBL2014773 0.76 FAAH (0.42) MEN1KMT2AFAAHHPGDALDH1A1
SCHEMBL13396822 0.75 FAAH (0.46) MEN1KMT2AFAAHMAPK1HPGD
SCHEMBL2122238 0.74 MEN1 (0.50) MEN1KMT2AFAAHMAPK1HPGD
SCHEMBL9795368 0.74 EPHX1 (0.42) MEN1KMT2AFAAHMAPK1HPGD

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 7 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

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

For each of this compound's patents that has machine-readable text (2 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-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 4082/4885KMT2A 3428/4885FAAH 195/4885
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 4082/4885KMT2A 3428/4885FAAH 195/4885

“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.