SCHEMBL6239432

SCHEMBL6239432

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
TSHR P16473 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP2D6 P10635 1/20 0.44
CA12 O43570 4/20 0.42
CA2 P00918 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA9 Q16790 4/20 0.41
CA1 P00915 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.40
AKR1B1 P15121 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL6930474 0.84 NAAA (0.56) POLBMAPK1CA12CA2CA9
SCHEMBL6239340 0.84 NAAA (0.56) POLBMAPK1CA12CA2CA9
SCHEMBL6241805 0.84 NAAA (0.56) POLBMAPK1CA12CA2CA9
SCHEMBL6934205 0.84 NAAA (0.56) POLBMAPK1CA12CA2CA9
SCHEMBL6245180 0.81 POLB (0.58) POLBMAPK1TSHRHIF1ACYP2D6
SCHEMBL29242881 0.81 POLB (0.58) POLBMAPK1TSHRHIF1ACYP2D6
SCHEMBL6243532 0.81 POLB (0.58) POLBMAPK1TSHRHIF1ACYP2D6
SCHEMBL6237911 0.79 POLB (0.57) POLBMAPK1PKM
SCHEMBL6237955 0.79 POLB (0.49) POLBMAPK1TSHRHIF1ACYP2D6
SCHEMBL6241734 0.79 POLB (0.49) POLBMAPK1TSHRHIF1ACYP2D6

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