SCHEMBL7887537

SCHEMBL7887537

NCCCCCC(=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
SCHEMBL4653518 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180116-B1 USED IN COSMETIC OR DERMATOLOGICAL FORMULATION; USED AS AGENTS FOR COMBATING FREE RADICALS L'OREAL (FR) 2001-01-30 — — US disclosed
EP-0962453-A1 Histidine derivatives, process for their preparation and their uses L'OREAL (FR) 1999-12-08 — — EP disclosed
WO-1999047504-A1 NOVEL HISTIDINE DERIVATIVES PREPARATION METHOD AND USES L'OREAL (FR) 1999-09-23 — — WO disclosed
US-5780578-A Synthetic polymer exhibiting hydrolytic activity, its preparation and use for conversion of esters and amides to the corresponding alcohol and amine COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 1998-07-14 — — US disclosed
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