SCHEMBL7893552

SCHEMBL7893552

NCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O.NCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 9/20 0.47
▸ ITGA2B P08514 9/20 0.47
▸ SLC6A5 Q9Y345 2/20 0.40
▸ SLC15A2 Q16348 1/20 0.40
▸ CPB2 Q96IY4 1/20 0.36
▸ FOLH1 Q04609 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.35
▸ FAAH O00519 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
SCHEMBL7257726 0.99 ITGB3 (0.48) ITGB3ITGA2BSLC6A5SLC15A2CPB2
SCHEMBL8630043 0.98 ITGB3 (0.50) ITGB3ITGA2BSLC6A5SLC15A2FOLH1
SCHEMBL4653518 0.98 ITGB3 (0.50) ITGB3ITGA2BSLC6A5SLC15A2FOLH1
SCHEMBL7887537 0.98 ITGB3 (0.50) ITGB3ITGA2BSLC6A5SLC15A2FOLH1
SCHEMBL541261 0.97 ITGB3 (0.44) ITGB3ITGA2BSLC6A5SLC15A2CPB2
SCHEMBL10937318 0.97 ITGB3 (0.44) ITGB3ITGA2BSLC6A5SLC15A2CPB2
SCHEMBL26126284 0.97 ITGB3 (0.44) ITGB3ITGA2BSLC6A5SLC15A2CPB2
Methoxymethane SCHEMBL2940968 0.93 ITGB3 (0.46) ITGB3ITGA2BSLC6A5SLC15A2CPB2
Carnosine SCHEMBL1161010 0.90 ITGB3 (0.41) ITGB3ITGA2BSLC6A5SLC15A2CPB2
Carnosine SCHEMBL33768 0.90 ITGB3 (0.41) ITGB3ITGA2BSLC6A5SLC15A2CPB2

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 1 patent. 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
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