SCHEMBL20100734

SCHEMBL20100734

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
EPHX2 P34913 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP12 P39900 1/20 0.32
MMP14 P50281 1/20 0.32
EPHX1 P07099 1/20 0.32
CYP1A2 P05177 1/20 0.32
RECQL P46063 1/20 0.32
CNR1 P21554 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
SCHEMBL20100741 0.88 HPGD (0.44) HPGDSMN1; SMN2PKMGAAPOLB
SCHEMBL20104867 0.86 HPGD (0.39) HPGDEPHX2SMN1; SMN2PKMGAA
SCHEMBL20100740 0.81 TLR2 (0.39) HPGDEPHX2SMN1; SMN2PKMGAA
SCHEMBL20100735 0.81 SMN1; SMN2 (0.34) HPGDSMN1; SMN2GAAPOLBCYP2D6
SCHEMBL10119573 0.78 TSHR (0.44) EPHX2
SCHEMBL10104155 0.77 AKR1B1 (0.36)
SCHEMBL12754382 0.77 AKR1B1 (0.36)
SCHEMBL10119574 0.77 AKR1B1 (0.36)
SCHEMBL16124654 0.76 ALDH1A1 (0.41) EPHX2CYP2C19
SCHEMBL12753892 0.75 LMNA (0.38)

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
US-20180118676-A1 NITRIC OXIDE DONATING DERIVATIVES OF LATANOPROST FREE ACID NICOX S.A. (FR) 2018-05-03 US disclosed
US-20180118677-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL NICOX S.A. (FR) 2018-05-03 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 (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-20180118677-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL PTGIS, NOS2, PTGIR HPGD 7/4885EPHX2 828/4885SMN1; SMN2 4789/4885
US-20180118676-A1 NITRIC OXIDE DONATING DERIVATIVES OF LATANOPROST FREE ACID PTGIS, NOS2, NOS1 HPGD 10/4885EPHX2 1646/4885SMN1; SMN2 4557/4885

“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.