SCHEMBL7046749

SCHEMBL7046749

CCCCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)OCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 4/20 0.53
FAAH O00519 2/20 0.48
CTSK P43235 1/20 0.48
PSMB5 P28074 2/20 0.48
EPHX2 P34913 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46

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
SCHEMBL28252938 0.88 SIRT2 (0.51) NOD1FAAHPSMB5
SCHEMBL28252935 0.88 SIRT2 (0.51) NOD1FAAHPSMB5
SCHEMBL3773070 0.84 NOD1 (0.67) NOD1FAAHITGB3ITGA2B
SCHEMBL3773080 0.84 NOD1 (0.67) NOD1FAAHITGB3ITGA2B
SCHEMBL3773081 0.84 NOD1 (0.67) NOD1FAAHITGB3ITGA2B
SCHEMBL28120619 0.84 NOD1 (0.63) NOD1FAAHITGB3ITGA2B
SCHEMBL7047407 0.83 CA12 (0.46) CTSK
SCHEMBL24095884 0.83 ITGB3 (0.59) EPHX2ITGB3ITGA2B
SCHEMBL11291084 0.81 MEN1 (0.49) PSMB5
SCHEMBL3776147 0.80 KMT2A (0.69) NOD1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815833-B1 Malodour preventing agents GIVAUDAN SA (CH) 2003-04-09 EP claimed
US-6150542-A COSMETICS; IN DEODORIZERS, ANTIPERSPIRANTS GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2000-11-21 US claimed
US-5925339-A ODORLESS DEODORANTS AND ANTIPERSPIRANTS GIVAUDAN ROURE SA (CH) 1999-07-20 US claimed
EP-0815833-A2 Malodour preventing agents GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-01-07 EP claimed
EP-0815833-B1 Malodour preventing agents GIVAUDAN SA (CH) 2003-04-09 EP disclosed
US-6150542-A COSMETICS; IN DEODORIZERS, ANTIPERSPIRANTS GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2000-11-21 US disclosed
US-5925339-A ODORLESS DEODORANTS AND ANTIPERSPIRANTS GIVAUDAN ROURE SA (CH) 1999-07-20 US disclosed
EP-0815833-A2 Malodour preventing agents GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-01-07 EP disclosed