SCHEMBL16124583

SCHEMBL16124583

CCCCc1ccc(OC(=O)C(N)CCCCN)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.47
▸ THRA P10827 1/20 0.45
▸ SPHK1 Q9NYA1 7/20 0.44
▸ S1PR1 P21453 4/20 0.42
▸ S1PR2 O95136 3/20 0.42
▸ S1PR3 Q99500 2/20 0.41
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41
▸ S1PR4 O95977 2/20 0.41
▸ S1PR5 Q9H228 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ GNAI3 P08754 1/20 0.41
▸ GNAO1 P09471 1/20 0.41
▸ GNAI1 P63096 1/20 0.41
▸ SPHK2 Q9NRA0 1/20 0.41
▸ ERAP2 Q6P179 2/20 0.41
▸ LNPEP Q9UIQ6 1/20 0.41
▸ LTA4H P09960 1/20 0.40

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
SCHEMBL16124585 0.93 THRB (0.48) THRBTHRASPHK1ITGB3ITGA2B
SCHEMBL16124597 0.85 ACHE (0.48) ERAP2LNPEPLTA4HERAP1
SCHEMBL16124578 0.83 SPHK1 (0.52) THRBTHRASPHK1S1PR1S1PR2
SCHEMBL578977 0.83 ITGB3 (0.48) THRBITGB3ITGA2BLTA4H
SCHEMBL13416276 0.83 ITGB3 (0.41) ITGB3ITGA2BERAP2LNPEPLTA4H
SCHEMBL13416271 0.81 ITGB3 (0.41) ITGB3ITGA2BERAP2LNPEPLTA4H
SCHEMBL13396462 0.81 ITGB3 (0.39) ITGB3ITGA2BLTA4H
SCHEMBL27999257 0.80 THRB (0.54) THRBTHRASPHK1S1PR1S1PR2
SCHEMBL571283 0.80 ITGB3 (0.65) THRBITGB3ITGA2BALDH1A1HSD17B10
SCHEMBL13396440 0.79 ITGB3 (0.40) ITGB3ITGA2BERAP2LNPEPLTA4H

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 THRB 2051/4885THRA 3693/4885SPHK1 2029/4885

“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.

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