SCHEMBL7045832

SCHEMBL7045832

NC(=O)CCC(NC(=O)CCCCC(=O)O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.57
NOD1 Q9Y239 8/20 0.55
FOLH1 Q04609 4/20 0.52
RIMKLA Q8IXN7 1/20 0.52
NAALAD2 Q9Y3Q0 1/20 0.52
EPHX2 P34913 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC6A5 Q9Y345 2/20 0.45

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
SCHEMBL12655858 0.98 NOD1 (0.58) GNPATNOD1FOLH1RIMKLANAALAD2
SCHEMBL7044786 0.98 NOD1 (0.58) GNPATNOD1FOLH1RIMKLANAALAD2
SCHEMBL7602122 0.98 NOD1 (0.58) GNPATNOD1FOLH1RIMKLANAALAD2
SCHEMBL6889134 0.98 NOD1 (0.58) GNPATNOD1FOLH1RIMKLANAALAD2
SCHEMBL8054833 0.98 NOD1 (0.58) GNPATNOD1FOLH1RIMKLANAALAD2
SCHEMBL24805419 0.98 NOD1 (0.58) GNPATNOD1FOLH1RIMKLANAALAD2
SCHEMBL7602113 0.98 NOD1 (0.58) GNPATNOD1FOLH1RIMKLANAALAD2
SCHEMBL7042608 0.98 NOD1 (0.58) GNPATNOD1FOLH1RIMKLANAALAD2
SCHEMBL13202423 0.98 NOD1 (0.58) GNPATNOD1FOLH1RIMKLANAALAD2
SCHEMBL19135729 0.98 NOD1 (0.58) GNPATNOD1FOLH1RIMKLANAALAD2

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