SCHEMBL13630642

SCHEMBL13630642

CCCCCC(C)C(=O)NCCCCC(NC(=O)C(C)CCCCC)C(=O)NCCCCC(NC(=O)C(CCCCNC(=O)C(C)CCCCC)NC(=O)C(C)CCCCC)C(=O)NCCCCC(C)C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.56
▸ SIRT1 Q96EB6 1/20 0.56
▸ DPP7 Q9UHL4 2/20 0.43
▸ TLR2 O60603 2/20 0.43
▸ GNAI3 P08754 1/20 0.42
▸ GNAO1 P09471 1/20 0.42
▸ GNAI1 P63096 1/20 0.42
▸ EPHX1 P07099 1/20 0.41
▸ RRM1 P23921 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GLP1R P43220 3/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP8 P22894 1/20 0.39

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
SCHEMBL12994175 0.89 SIRT6 (0.53) SIRT6SIRT1DPP7TLR2GNAI3
SCHEMBL13630636 0.89 SIRT6 (0.53) SIRT6SIRT1DPP7TLR2GNAI3
SCHEMBL14000521 0.89 DPP7 (0.53) SIRT6SIRT1DPP7GNAI3GNAO1
SCHEMBL15381917 0.84 CA1 (0.46) SIRT6SIRT1TLR2CNR1MMP3
SCHEMBL12797998 0.84 SIRT6 (0.51) SIRT6SIRT1DPP7TLR2GNAI3
SCHEMBL12797999 0.84 SIRT6 (0.51) SIRT6SIRT1DPP7TLR2GNAI3
SCHEMBL26805124 0.84 SIRT6 (0.48) SIRT6SIRT1DPP7TLR2GNAI3
SCHEMBL26805014 0.82 SIRT6 (0.47) SIRT6SIRT1DPP7TLR2GNAI3
SCHEMBL26804020 0.82 SIRT6 (0.46) SIRT6SIRT1DPP7TLR2GNAI3
SCHEMBL15895092 0.82 SIRT6 (0.52) SIRT6SIRT1TLR2GLP1R

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-20090275507-A1 CONTRACEPTIVE COMPOSITION STARPHARMA PTY LIMITED (AU) 2009-11-05 — — 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-20090275507-A1 CONTRACEPTIVE COMPOSITION HSD17B11, CYP11A1, CYP17A1 SIRT6 175/4885SIRT1 72/4885DPP7 2680/4885

“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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