SCHEMBL6237955

SCHEMBL6237955

CCOC(=O)[C@H](C)NCc1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
TSHR P16473 2/20 0.44
CYP2D6 P10635 1/20 0.44
HIF1A Q16665 1/20 0.44
CA12 O43570 5/20 0.44
CA2 P00918 5/20 0.44
CA9 Q16790 4/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL6241734 1.00 POLB (0.49) POLBMAPK1TSHRCYP2D6HIF1A
SCHEMBL6240884 0.85 POLB (0.49) POLBMAPK1TSHRCYP2D6HIF1A
SCHEMBL6239930 0.84 TSHR (0.47) POLBMAPK1TSHRSMN1; SMN2ALDH1A1
SCHEMBL6935238 0.84 TSHR (0.47) POLBMAPK1TSHRSMN1; SMN2ALDH1A1
SCHEMBL7224601 0.84 TSHR (0.47) POLBMAPK1TSHRSMN1; SMN2ALDH1A1
SCHEMBL11394616 0.84 ALDH1A1 (0.46) HPGDSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL29176910 0.84 NLRP3 (0.46) MAPK1SMN1; SMN2KDM4EPDCD1CD274
SCHEMBL11393576 0.84 ALDH1A1 (0.46) HPGDSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6240614 0.83 PPID (0.45) POLBMAPK1TSHRCYP2D6HIF1A
SCHEMBL7223415 0.82 POLB (0.47) POLBMAPK1TSHRCYP2D6HIF1A

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
EP-0955046-B1 Amino acid derivatives as anti-inflammatory agents AJINOMOTO KK (JP) 2005-06-22 EP claimed
EP-0955046-B1 Amino acid derivatives as anti-inflammatory agents AJINOMOTO KK (JP) 2005-06-22 EP disclosed
US-6552061-B1 For therapy and prophylaxis of inflammatory skin injuries or diseases AJINOMOTO CO., INC. (JP) 2003-04-22 US disclosed
EP-0955046-A2 Amino acid derivatives and anti-inflammatory agents Ajinomoto Co., Inc. (JP) 1999-11-10 EP disclosed