SCHEMBL8883602

SCHEMBL8883602

COc1c(OCc2ccc(F)cc2)ccnc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
NR4A2 P43354 2/20 0.46
KDM5A P29375 7/20 0.46
KDM5B Q9UGL1 7/20 0.46
KDM4C Q9H3R0 6/20 0.46
KDM2B Q8NHM5 2/20 0.46
KDM4A O75164 1/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
ATM Q13315 1/20 0.43
XDH P47989 1/20 0.43
PTPN7 P35236 1/20 0.42
PTPN12 Q05209 1/20 0.42
PTPN22 Q9Y2R2 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
SCHEMBL4681700 0.88 RXRA (0.50) RXRAATM
SCHEMBL27409127 0.87 MRGPRX4 (0.54) RXRANR4A2KDM5AKDM5BKDM4C
SCHEMBL8882342 0.86 ASPH (0.48) RXRAKDM5AKDM4C
SCHEMBL10530981 0.83 RAB9A (0.54) RXRAFFAR1KDM5AKDM5BKDM4C
SCHEMBL4152950 0.80 RAB9A (0.50) RXRAFFAR1KDM5AKDM5BKDM4C
SCHEMBL8883987 0.79 KMT2A (0.56) RXRANR4A2
SCHEMBL8882934 0.79 MRGPRX4 (0.53) KDM5BKDM4C
SCHEMBL2241390 0.78 MAPT (0.47) KDM4C
SCHEMBL4890014 0.77 KDM4E (0.47) RXRANR4A2
SCHEMBL5583635 0.77 RXRA (0.50) RXRAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658933-A Substituted heterocyclic carboxamide esters, their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-19 US disclosed