SCHEMBL360623

SCHEMBL360623

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 10/20 0.54
▸ KMT2A Q03164 2/20 0.46
▸ LPAR3 Q9UBY5 4/20 0.45
▸ NPY1R P25929 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ NPY4R P50391 1/20 0.44
▸ NPY5R Q15761 1/20 0.44
▸ LPAR1 Q92633 2/20 0.44
▸ GLP1R P43220 2/20 0.42

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
SCHEMBL18796573 0.95 NOD1 (0.59) NOD1KMT2ALPAR3NPY1RNPY2R
SCHEMBL18796584 0.95 NOD1 (0.59) NOD1KMT2ALPAR3NPY1RNPY2R
SCHEMBL18796593 0.95 NOD1 (0.59) NOD1KMT2ALPAR3NPY1RNPY2R
Hydrochloric Acid SCHEMBL18796601 0.94 NOD1 (0.58) NOD1KMT2ALPAR3NPY1RNPY2R
Hydrochloric Acid SCHEMBL10332244 0.94 NOD1 (0.58) NOD1KMT2ALPAR3NPY1RNPY2R
Hydrochloric Acid SCHEMBL10517315 0.94 NOD1 (0.58) NOD1KMT2ALPAR3NPY1RNPY2R
Hydrochloric Acid SCHEMBL18796606 0.94 NOD1 (0.58) NOD1KMT2ALPAR3NPY1RNPY2R
Hydrochloric Acid SCHEMBL10517288 0.94 NOD1 (0.58) NOD1KMT2ALPAR3NPY1RNPY2R
Hydrochloric Acid SCHEMBL10332245 0.94 NOD1 (0.58) NOD1KMT2ALPAR3NPY1RNPY2R
Hydrochloric Acid SCHEMBL18796561 0.94 NOD1 (0.58) NOD1KMT2ALPAR3NPY1RNPY2R

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 NOD1 4770/4885KMT2A 2456/4885LPAR3 2277/4885
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 NOD1 4515/4885KMT2A 2361/4885LPAR3 1879/4885

“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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