SCHEMBL6933592

SCHEMBL6933592

CCCCCCCCCCCCNC(=O)CNCc1ccccc1O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.56
CA2 P00918 5/20 0.56
CA9 Q16790 4/20 0.56
NAAA Q02083 2/20 0.55
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TRPV1 Q8NER1 1/20 0.48
HPGD P15428 1/20 0.48
CYP2D6 P10635 1/20 0.47
HIF1A Q16665 1/20 0.47
BCHE P06276 1/20 0.47
CHRM2 P08172 1/20 0.47
ACHE P22303 1/20 0.47
MPO P05164 1/20 0.47
SLC6A4 P31645 1/20 0.47
EPHX2 P34913 1/20 0.46
NAMPT P43490 2/20 0.46
ASAH1 Q13510 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
SCHEMBL6241301 1.00 CA12 (0.56) CA12CA2CA9NAAATSHR
SCHEMBL10038330 0.86 NAAA (0.60) CA12CA2CA9NAAAKDM4E
SCHEMBL12980401 0.86 NAAA (0.60) CA12CA2CA9NAAAKDM4E
SCHEMBL11119051 0.82 CA12 (0.83) CA12CA2CA9TSHRKDM4E
SCHEMBL5935029 0.82 CA12 (0.83) CA12CA2CA9TSHRKDM4E
SCHEMBL11118835 0.82 CA12 (0.83) CA12CA2CA9TSHRKDM4E
SCHEMBL11118157 0.82 CA12 (0.83) CA12CA2CA9TSHRKDM4E
SCHEMBL3857624 0.82 CA12 (0.83) CA12CA2CA9TSHRKDM4E
SCHEMBL8017532 0.82 CA12 (0.83) CA12CA2CA9TSHRKDM4E
SCHEMBL11122843 0.82 CA12 (0.83) CA12CA2CA9TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869115-B1 Amino acid derivatives and compositions containing the same for inhibiting active-oxygen AJINOMOTO KK (JP) 2003-12-17 EP disclosed
US-6552061-B1 For therapy and prophylaxis of inflammatory skin injuries or diseases AJINOMOTO CO., INC. (JP) 2003-04-22 US disclosed
US-5985922-A Amino acid derivatives and active oxygen-resisting agent AJINOMOTO CO., INC. (JP) 1999-11-16 US disclosed
EP-0955046-A2 Amino acid derivatives and anti-inflammatory agents Ajinomoto Co., Inc. (JP) 1999-11-10 EP disclosed
EP-0869115-A2 Amino acid derivatives and compositions containing the same for inhibiting active-oxygen Ajinomoto Co., Inc. (JP) 1998-10-07 EP disclosed