SCHEMBL20104903

SCHEMBL20104903

CC(C)CCNC(=O)CCCCCO[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
CNR1 P21554 3/20 0.45
CNR2 P34972 2/20 0.45
LMNA P02545 2/20 0.45
PKM P14618 1/20 0.45
NAMPT P43490 1/20 0.43
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
NMT2 O60551 1/20 0.38
NMT1 P30419 1/20 0.38
NPC1 O15118 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.37
FAAH O00519 2/20 0.36

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
SCHEMBL20104862 0.85 HPGD (0.46) HPGDCNR1CNR2PKMPOLB
SCHEMBL20113878 0.82 FAAH (0.51) CNR1CNR2TSHRFAAH
SCHEMBL27662237 0.81 HPGD (0.36) HPGDLMNACYP2C19TSHRCYP3A4
SCHEMBL18115162 0.81 FAAH (0.44) CNR1CNR2TSHRALDH1A1FAAH
SCHEMBL20113585 0.80 FAAH (0.55) HPGDTSHRGAAFAAH
SCHEMBL17740201 0.79 HPGD (0.54) HPGDCNR1CNR2LMNAPKM
SCHEMBL20113578 0.79 KMT2A (0.54) HPGDSMN1; SMN2ALDH1A1FAAH
SCHEMBL9500025 0.79 TSHR (0.39) CNR1CNR2CYP2C19TSHRFAAH
SCHEMBL20104906 0.79 HPGD (0.42) HPGDCNR1CNR2LMNAPKM
SCHEMBL2011680 0.79 FAAH (0.52) HPGDTSHRGAAFAAH

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
US-10280138-B2 Nitric oxide donating derivatives of fluprostenol NICOX S.A. (FR) 2019-05-07 US disclosed
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 (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-20180118677-A1 NITRIC OXIDE DONATING DERIVATIVES OF FLUPROSTENOL PTGIS, NOS2, PTGIR HPGD 7/4885CNR1 766/4885CNR2 590/4885
US-10280138-B2 Nitric oxide donating derivatives of fluprostenol PTGIS, NOS2, PTGIR HPGD 7/4885CNR1 766/4885CNR2 590/4885
US-20180118676-A1 NITRIC OXIDE DONATING DERIVATIVES OF LATANOPROST FREE ACID PTGIS, NOS2, NOS1 HPGD 10/4885CNR1 1682/4885CNR2 1199/4885

“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.