SCHEMBL3389707

SCHEMBL3389707

CCCCCCCCCCCC(O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.54
▸ SIRT6 Q8N6T7 1/20 0.49
▸ SIRT1 Q96EB6 1/20 0.49
▸ GPR84 Q9NQS5 7/20 0.47
▸ FFAR1 O14842 1/20 0.47
▸ TLR2 O60603 2/20 0.47
▸ GNAI3 P08754 1/20 0.47
▸ GNAO1 P09471 1/20 0.47
▸ GNAI1 P63096 1/20 0.47
▸ FOLH1 Q04609 1/20 0.45
▸ NOD1 Q9Y239 3/20 0.44
▸ MAPT P10636 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ ZDHHC20 Q5W0Z9 1/20 0.42
▸ ZDHHC2 Q9UIJ5 1/20 0.42
▸ ACE P12821 2/20 0.41

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
SCHEMBL24376227 0.98 SLC6A5 (0.52) SLC6A5SIRT6SIRT1GPR84FFAR1
SCHEMBL29291292 0.90 FOLH1 (0.47) SLC6A5SIRT6SIRT1GPR84FFAR1
SCHEMBL28307135 0.84 SLC6A5 (0.54) SLC6A5SIRT6SIRT1GPR84FFAR1
SCHEMBL28307136 0.84 SLC6A5 (0.54) SLC6A5SIRT6SIRT1GPR84FFAR1
SCHEMBL11676314 0.83 GPR84 (0.53) GPR84FFAR1NOD1MAPTLCK
SCHEMBL7050367 0.83 NOD1 (0.47) SLC6A5GPR84FFAR1NOD1MAPT
SCHEMBL19816805 0.83 NOD1 (0.47) SLC6A5GPR84FFAR1NOD1MAPT
SCHEMBL10708556 0.83 FFAR1 (0.53) GPR84FFAR1TLR2NOD1PPARD
SCHEMBL8140501 0.83 FFAR1 (0.53) GPR84FFAR1TLR2NOD1PPARD
SCHEMBL28741345 0.82 FOLH1 (0.51) SLC6A5SIRT6SIRT1TLR2GNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1640025-B1 COMPOSITION FOR EXTERNAL USE SUNTORY HOLDINGS LTD (JP) 2010-12-15 — — EP disclosed
US-7781409-B2 Composition for external use SUNTORY HOLDINGS LIMITED (JP) 2010-08-24 — — US disclosed
US-20070269454-A1 Composition for External Use SUNTORY HOLDINGS LIMITED (JP) 2007-11-22 — — US disclosed
EP-1640025-A1 COMPOSITION FOR EXTERNAL USE SUNTORY LIMITED (JP) 2006-03-29 — — EP disclosed
EP-0788832-B1 Basic amino acid derivative for use as a surfactant, and toiletry or detergent composition containing the same AJINOMOTO KK (JP) 2003-10-15 — — EP disclosed
EP-0788832-A1 Basic amino acid derivative for use as a surfactant, and toiletry or detergent composition containing the same Ajinomoto Co., Inc. (JP) 1997-08-13 — — 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 (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-20070269454-A1 Composition for External Use PROC, GUSB, CYP2R1 SLC6A5 756/4885SIRT6 2129/4885SIRT1 2975/4885

“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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