SCHEMBL8940425

SCHEMBL8940425

CC(=O)OC(c1ccc(C(F)(F)F)cc1)N1C(=O)C2=C(C3CCC2C3)S1(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
DPP4 P27487 2/20 0.34
DPP7 Q9UHL4 2/20 0.34
PDE2A O00408 4/20 0.32
DPP8 Q6V1X1 1/20 0.32
TEAD1 P28347 3/20 0.31
CCR1 P32246 1/20 0.31
CCR2 P41597 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
HSD11B1 P28845 1/20 0.30
PTGER4 P35408 1/20 0.30

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
SCHEMBL27654897 0.61 CES2 (0.50) KDM4EALDH1A1HSD11B1
SCHEMBL7329291 0.61 ELANE (0.47) ELANEKDM4EALDH1A1POLB
SCHEMBL27674822 0.60 GSK3B (0.47) KDM4EALDH1A1
SCHEMBL1347245 0.59 CES2 (0.38) TEAD1HSD11B1
SCHEMBL867225 0.58 FFAR1 (0.45)
SCHEMBL29019486 0.56 ALDH1A1 (0.42) KDM4EALDH1A1
SCHEMBL9280969 0.56 GSK3B (0.52) PDE2A
SCHEMBL7347918 0.54 SLC6A3 (0.33) ELANEPOLB
SCHEMBL27614635 0.54 TRPV1 (0.51) KDM4EALDH1A1
SCHEMBL23182220 0.54 CES2 (0.50) PDE2A

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-5489604-A TREATING DEGENERATIVE DISEASES STERLING WINTHROP, INC. (US) 1996-02-06 US disclosed