SCHEMBL7045847

SCHEMBL7045847

NC(=O)CCC(NC(=O)CCCC(=O)NC(CCC(N)=O)C(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 8/20 0.56
GNPAT O15228 1/20 0.53
KMT2A Q03164 2/20 0.49
FOLH1 Q04609 3/20 0.47
RIMKLA Q8IXN7 1/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.47
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
C3AR1 Q16581 1/20 0.46
ALOX15 P16050 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
SLC6A5 Q9Y345 1/20 0.44

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
SCHEMBL7046045 0.96 NOD1 (0.60) NOD1GNPATKMT2AFOLH1RIMKLA
SCHEMBL21387151 0.95 GNPAT (0.57) NOD1GNPATKMT2AFOLH1RIMKLA
SCHEMBL7046058 0.95 GNPAT (0.57) NOD1GNPATKMT2AFOLH1RIMKLA
SCHEMBL7045660 0.94 NOD1 (0.63) NOD1GNPATKMT2AFOLH1RIMKLA
SCHEMBL7047220 0.94 NOD1 (0.63) NOD1GNPATKMT2AFOLH1RIMKLA
SCHEMBL16565941 0.93 GNPAT (0.58) NOD1GNPATFOLH1RIMKLANAALAD2
SCHEMBL7047615 0.92 GNPAT (0.56) NOD1GNPATKMT2AFOLH1RIMKLA
SCHEMBL7045832 0.91 GNPAT (0.57) NOD1GNPATKMT2AFOLH1RIMKLA
SCHEMBL24805419 0.90 NOD1 (0.58) NOD1GNPATFOLH1RIMKLANAALAD2
SCHEMBL7602122 0.90 NOD1 (0.58) NOD1GNPATFOLH1RIMKLANAALAD2

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