SCHEMBL16124654

SCHEMBL16124654

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.37
CA2 P00918 4/20 0.35
CA1 P00915 3/20 0.35
FPR2 P25090 2/20 0.34
ENPEP Q07075 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
EPHX2 P34913 1/20 0.33
FAAH O00519 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL13396860 0.91 ALDH1A1 (0.38) ALDH1A1L3MBTL1CA2CA1FPR2
SCHEMBL20100735 0.82 SMN1; SMN2 (0.34) ALDH1A1L3MBTL1MEN1KMT2AMAPK1
SCHEMBL13396728 0.81 ALDH1A1 (0.44) ALDH1A1L3MBTL1CA2CA1FPR2
SCHEMBL13396678 0.79 ALDH1A1 (0.42) ALDH1A1L3MBTL1CA2CA1FPR2
SCHEMBL20100734 0.76 HPGD (0.40) CYP2C19EPHX2
SCHEMBL10104155 0.76 AKR1B1 (0.36) ALDH1A1MEN1KMT2APTPN1
SCHEMBL12754382 0.76 AKR1B1 (0.36) ALDH1A1MEN1KMT2APTPN1
SCHEMBL10119574 0.76 AKR1B1 (0.36) ALDH1A1MEN1KMT2APTPN1
SCHEMBL20100741 0.75 HPGD (0.44) ALDH1A1MEN1KMT2ACYP2C19
SCHEMBL9828854 0.75 ALDH1A1 (0.56) ALDH1A1L3MBTL1FPR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2014-09-25 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 (1 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-20140288142-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 ALDH1A1 360/4885L3MBTL1 4339/4885CA2 2916/4885

“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.