SCHEMBL4653518

SCHEMBL4653518

NCCCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 10/20 0.50
▸ ITGA2B P08514 10/20 0.50
▸ SLC6A5 Q9Y345 2/20 0.43
▸ SLC15A2 Q16348 1/20 0.40
▸ FOLH1 Q04609 1/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.38
▸ FAAH O00519 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38

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
SCHEMBL8630043 1.00 ITGB3 (0.50) ITGB3ITGA2BSLC6A5SLC15A2FOLH1
SCHEMBL7887537 1.00 ITGB3 (0.50) ITGB3ITGA2BSLC6A5SLC15A2FOLH1
SCHEMBL7257726 0.99 ITGB3 (0.48) ITGB3ITGA2BSLC6A5SLC15A2FOLH1
SCHEMBL7893552 0.98 ITGB3 (0.47) ITGB3ITGA2BSLC6A5SLC15A2FOLH1
SCHEMBL26126284 0.95 ITGB3 (0.44) ITGB3ITGA2BSLC6A5SLC15A2
SCHEMBL541261 0.95 ITGB3 (0.44) ITGB3ITGA2BSLC6A5SLC15A2
SCHEMBL10937318 0.95 ITGB3 (0.44) ITGB3ITGA2BSLC6A5SLC15A2
Methoxymethane SCHEMBL2940968 0.91 ITGB3 (0.46) ITGB3ITGA2BSLC6A5SLC15A2HDAC6
Carnosine SCHEMBL3904964 0.90 ITGB3 (0.41) ITGB3ITGA2BSLC6A5SLC15A2
Carnosine SCHEMBL33768 0.90 ITGB3 (0.41) ITGB3ITGA2BSLC6A5SLC15A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0972511-B1 Association of a retinoid with a histidine derivative OREAL (FR) 2003-04-09 — — EP claimed
US-6358514-B1 FOR SKIN AND HAIRCARE L'OREAL (FR) 2002-03-19 — — US claimed
EP-0972511-A1 Association of a retinoid with a histidine derivative L'OREAL (FR) 2000-01-19 — — EP claimed
WO-1999047504-A1 NOVEL HISTIDINE DERIVATIVES PREPARATION METHOD AND USES L'OREAL (FR) 1999-09-23 — — WO claimed
EP-1602354-B1 Use of polyglutamic acid or its salts MEIJI SEIKA KAISHA (JP) 2008-11-05 — — EP disclosed
EP-1604647-B1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof CHISSO CORP (JP) 2008-05-07 — — EP disclosed
US-20060165636-A1 Hair treatment composition and hair cosmetic for damaged hair MEIJI SEIKA KAISHA, LTD. (JP) 2006-07-27 — — US disclosed
US-20060018867-A1 Cosmetic composition and production thereof ICHIMARU PHARCOS CO., LTD 2006-01-26 — — US disclosed
EP-1604647-A1 Cosmetic composition containing polyorganosiloxane-containing epsilon-polylysine polymer, and polyhydric alcohol, and production thereof Ichimaru Pharcos Co., Ltd. (JP) 2005-12-14 — — EP disclosed
EP-1602354-A1 HAIR TREATMENT COMPOSITION AND HAIR COSMETIC FOR DAMAGED HAIR Meiji Seika Kaisha, Ltd. (JP) 2005-12-07 — — EP disclosed
EP-0972511-B1 Association of a retinoid with a histidine derivative OREAL (FR) 2003-04-09 — — EP disclosed
US-6358514-B1 FOR SKIN AND HAIRCARE L'OREAL (FR) 2002-03-19 — — US disclosed
EP-0972511-A1 Association of a retinoid with a histidine derivative L'OREAL (FR) 2000-01-19 — — EP disclosed
WO-1999047504-A1 NOVEL HISTIDINE DERIVATIVES PREPARATION METHOD AND USES L'OREAL (FR) 1999-09-23 — — WO 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-20060165636-A1 Hair treatment composition and hair cosmetic for damaged hair CUTA, COL14A1, PRKDC ITGB3 4676/4885ITGA2B 4586/4885SLC6A5 1664/4885
US-20060018867-A1 Cosmetic composition and production thereof CUTA, PARG, TYR ITGB3 3766/4885ITGA2B 3118/4885SLC6A5 3000/4885

“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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