SCHEMBL8875124

SCHEMBL8875124

COC(=O)c1ncc(C(=O)O)cc1OCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.47
MYC P01106 3/20 0.44
MAX P61244 3/20 0.44
AR P10275 1/20 0.43
PELP1 Q8IZL8 1/20 0.43
RXRA P19793 3/20 0.42
PPARG P37231 1/20 0.42
HCAR3 P49019 2/20 0.42
EP300 Q09472 3/20 0.41
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
GCK P35557 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
RXRB P28702 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
SCHEMBL8886246 0.89 XDH (0.44) XDHMYCMAXARPELP1
SCHEMBL8875662 0.88 XDH (0.51) XDHMYCMAXRXRAPPARG
SCHEMBL8874902 0.82 CA12 (0.49) HIF1AKDM4EMAPK1L3MBTL1
SCHEMBL8103054 0.80 XDH (0.46) XDHMYCMAXRXRAPPARG
SCHEMBL8883400 0.78 CYP2C9 (0.50) XDHMYCMAXRXRAPPARG
SCHEMBL16319100 0.76 AR (0.44) XDHARPELP1HIF1AKDM4E
SCHEMBL8882778 0.76 XDH (0.46) XDHHCAR3NR1H4KDM4EMAPK1
SCHEMBL8882657 0.74 XDH (0.53) XDHRXRARARBNR1H4KDM4E
SCHEMBL8883897 0.73 KDM4E (0.47) HCAR3KDM4EMAPK1L3MBTL1HCAR2
SCHEMBL28088519 0.73 KDM4E (0.50) PPARGHCAR3KDM4EMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5620996-A Sulfonamidocarbonyl pyridine-2-carboxesteramides and their pyridine-N-oxide compounds and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-15 US disclosed
US-5610172-A Sulfonamidocarbonylpyridine-2-carboxamides and pyridine-n-oxides which are useful as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-11 US disclosed