SCHEMBL7887542

SCHEMBL7887542

NCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.69
▸ SLC15A2 Q16348 1/20 0.67
▸ EPHX2 P34913 1/20 0.58
▸ CPB2 Q96IY4 2/20 0.56
▸ ITGB2 P05107 3/20 0.55
▸ ICAM1 P05362 3/20 0.55
▸ ITGAL P20701 3/20 0.55
▸ CA1 P00915 3/20 0.52
▸ CA2 P00918 3/20 0.52
▸ CYP3A4 P08684 1/20 0.50
▸ SLC7A5 Q01650 1/20 0.50
▸ FAAH O00519 1/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ HRH4 Q9H3N8 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ HRH1 P35367 2/20 0.47

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
SCHEMBL4653523 1.00 SLC6A5 (0.69) SLC6A5SLC15A2EPHX2CPB2ITGB2
SCHEMBL7257727 0.99 SLC15A2 (0.69) SLC6A5SLC15A2EPHX2CPB2ITGB2
SCHEMBL26126281 0.95 SLC15A2 (0.67) SLC6A5SLC15A2EPHX2CPB2ITGB2
SCHEMBL541262 0.95 SLC15A2 (0.67) SLC6A5SLC15A2EPHX2CPB2ITGB2
SCHEMBL21631681 0.95 SLC15A2 (0.67) SLC6A5SLC15A2EPHX2CPB2ITGB2
Carnosine SCHEMBL22191128 0.94 SLC15A2 (0.69) SLC6A5SLC15A2EPHX2CPB2ITGB2
SCHEMBL18857761 0.90 SLC15A2 (0.58) SLC6A5SLC15A2EPHX2CPB2HRH4
Carnosine SCHEMBL22392772 0.90 SLC15A2 (0.63) SLC6A5SLC15A2EPHX2CPB2ITGB2
Carnosine SCHEMBL1160796 0.90 SLC15A2 (0.63) SLC6A5SLC15A2EPHX2CPB2ITGB2
Carnosine SCHEMBL1161102 0.90 SLC15A2 (0.63) SLC6A5SLC15A2EPHX2CPB2ITGB2

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 3 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
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