SCHEMBL368948

SCHEMBL368948

CCCCCN[C@@H](CCCNC(=N)N)C(=O)OCCC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.39
SIRT6 Q8N6T7 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SPHK1 Q9NYA1 3/20 0.37
NOD1 Q9Y239 1/20 0.37
RRM1 P23921 1/20 0.37
EPHX1 P07099 6/20 0.36
ACHE P22303 3/20 0.36
FAAH O00519 1/20 0.35
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
TLR2 O60603 1/20 0.35

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
SCHEMBL368705 0.91 DPP7 (0.40) DPP7SIRT6SIRT1SPHK1NOD1
SCHEMBL23549407 0.90 TSHR (0.41) DPP7SIRT6SIRT1SPHK1NOD1
SCHEMBL3043418 0.90 TSHR (0.41) DPP7SIRT6SIRT1SPHK1NOD1
Hydrochloric Acid SCHEMBL3043413 0.88 SPHK1 (0.42) DPP7SIRT6SIRT1SPHK1NOD1
Hydrochloric Acid SCHEMBL10931245 0.88 SPHK1 (0.42) DPP7SIRT6SIRT1SPHK1NOD1
SCHEMBL23752089 0.88 EPHX1 (0.44) DPP7SIRT6SIRT1SPHK1NOD1
SCHEMBL27743938 0.88 EPHX1 (0.44) DPP7SIRT6SIRT1SPHK1NOD1
SCHEMBL23752090 0.88 EPHX1 (0.44) DPP7SIRT6SIRT1SPHK1NOD1
SCHEMBL427041 0.86 ACHE (0.43) SIRT6SIRT1NOD1EPHX1ACHE
SCHEMBL1939288 0.85 TSHR (0.39) DPP7SIRT6SIRT1SPHK1NOD1

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 DPP7 1875/4885SIRT6 548/4885SIRT1 257/4885
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 DPP7 1484/4885SIRT6 533/4885SIRT1 284/4885

“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.