SCHEMBL368473

SCHEMBL368473

CCCCCN[C@@H](CCCCN)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.51
SIRT6 Q8N6T7 1/20 0.51
GNAI3 P08754 1/20 0.49
GNAO1 P09471 1/20 0.49
GNAI1 P63096 1/20 0.49
CPB2 Q96IY4 2/20 0.48
TLR2 O60603 4/20 0.46
FURIN P09958 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
SLC6A5 Q9Y345 1/20 0.41
NOD1 Q9Y239 4/20 0.41
RRM1 P23921 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.39
SIRT3 Q9NTG7 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
SCHEMBL11332462 0.91 ZDHHC7 (0.46) SIRT1SIRT6NOD1
SCHEMBL369214 0.90 SIRT1 (0.50) SIRT1SIRT6GNAI3GNAO1GNAI1
SCHEMBL15715750 0.89 DPP7 (0.42) DPP7NOD1
SCHEMBL27546189 0.88 SIRT1 (0.51) SIRT1SIRT6GNAI3GNAO1GNAI1
SCHEMBL5916980 0.85 SIRT1 (0.46) SIRT1SIRT6GNAI3GNAO1GNAI1
SCHEMBL5916984 0.85 SIRT1 (0.46) SIRT1SIRT6GNAI3GNAO1GNAI1
SCHEMBL27451758 0.84 SIRT1 (0.51) SIRT1SIRT6GNAI3GNAO1GNAI1
Acetic Acid SCHEMBL27357036 0.84 SIRT1 (0.54) SIRT1SIRT6GNAI3GNAO1GNAI1
SCHEMBL17831010 0.84 CYP1A2 (0.53) SIRT1SIRT6GNAI3GNAO1GNAI1
SCHEMBL367558 0.83 NOD1 (0.56) SIRT1SIRT6GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937100-B2 Cosmetic composition containing calcium citrate and N-acylated aminoalcohol derivative COGNIS IP MANAGEMENT GMBH (DE) 2015-01-20 US disclosed
US-20140086863-A1 Cosmetic Composition COGNIS IP MANAGEMENT GMBH (DE) 2014-03-27 US disclosed
US-8592484-B2 Cosmetic composition containing calcium citrate and N-acylated aminoalcohol derivative to prevent dry skin and signs of cutaneous ageing COGNIS IP MANAGEMENT GMBH (DE) 2013-11-26 US disclosed
EP-2410977-A1 COSMETIC COMPOSITION CONTAINING CALCIUM CITRATE AND N-ACYLATED AMINOALCOHOL DERIVATIVE TO PREVENT DRY SKIN AND SIGNS OF CUTANEOUS AGEING Cognis IP Management GmbH (DE) 2012-02-01 EP disclosed
US-20120016032-A1 Cosmetic Composition Containing Calcium Citrate And N-Acylated Aminoalcohol Derivative To Prevent Dry Skin And Signs Of Cutaneous Ageing COGNIS IP MANAGEMENT GMBH (DE) 2012-01-19 US disclosed
WO-2010108619-A1 COSMETIC COMPOSITION CONTAINING CALCIUM CITRATE AND N-ACYLATED AMINOALCOHOL DERIVATIVE TO PREVENT DRY SKIN AND SIGNS OF CUTANEOUS AGEING COGNIS IP MANAGEMENT GMBH (DE) 2010-09-30 WO disclosed
EP-2233128-A1 Cosmetic composition Cognis IP Management GmbH (DE) 2010-09-29 EP 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-20140086863-A1 Cosmetic Composition ASAH2, ASAH1, GLA SIRT1 257/4885SIRT6 548/4885GNAI3 3229/4885
US-20120016032-A1 Cosmetic Composition Containing Calcium Citrate And N-Acylated Aminoalcohol Derivative To Prevent Dry Skin And Signs Of Cutaneous Ageing ASAH2, ASAH1, GLA SIRT1 284/4885SIRT6 533/4885GNAI3 3197/4885

“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.