SCHEMBL5656215

SCHEMBL5656215

CCCCCCCCCCC(O)CN[C@@H](CS)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.53
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
LCK P06239 1/20 0.46
PPARD Q03181 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
FAAH O00519 2/20 0.46
MAPT P10636 2/20 0.42
NOD1 Q9Y239 1/20 0.41
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
PTGS2 P35354 1/20 0.40
THPO P40225 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL9619192 0.83 GPR84 (0.65) GPR84FFAR1FFAR4LCKPPARD
SCHEMBL28450260 0.82 SLC6A5 (0.52) GPR84FFAR1FFAR4LCKPPARD
SCHEMBL9924203 0.80 KDM4E (0.47) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL931571 0.78 NOD1 (0.49) GPR84FFAR1MAPTNOD1KDM4E
SCHEMBL20553468 0.78 NOD1 (0.49) GPR84FFAR1MAPTNOD1KDM4E
SCHEMBL25211227 0.78 NOD1 (0.49) GPR84FFAR1MAPTNOD1KDM4E
SCHEMBL21243388 0.78 NOD1 (0.49) GPR84FFAR1MAPTNOD1KDM4E
SCHEMBL21291888 0.78 NOD1 (0.49) GPR84FFAR1MAPTNOD1KDM4E
SCHEMBL931570 0.78 NOD1 (0.49) GPR84FFAR1MAPTNOD1KDM4E
SCHEMBL7201072 0.78 NOD1 (0.49) GPR84FFAR1MAPTNOD1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105570-B2 Cysteine derivatives AJINOMOTO CO., INC. (JP) 2006-09-12 US disclosed
US-6703031-B1 OXIDATIVE STRESS INHIBITOR; RETARDING AGING OF SKIN AJINOMOTO CO., INC. (JP) 2004-03-09 US disclosed
US-6602492-B2 Cysteine derivatives AJINOMOTO CO., INC. (JP) 2003-08-05 US disclosed
EP-1120407-A1 CYSTEINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2001-08-01 EP disclosed