SCHEMBL8025263

SCHEMBL8025263

CC(C)(C)OC(=O)NC1(C(=O)O)CC1C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRND Q07001 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
TRPA1 O75762 1/20 0.35
MAPT P10636 1/20 0.34
CYP17A1 P05093 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL8018983 0.85 L3MBTL1 (0.39) DPP8DPP9CES2CES1MEN1
SCHEMBL8025163 0.83 SIRT2 (0.40) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL8018891 0.81 SMN1; SMN2 (0.38) MAPTMEN1KMT2ARAB9A
SCHEMBL21180476 0.69 CHRNA1 (0.43) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL4643135 0.68 MEN1 (0.43) DPP8DPP9MEN1KMT2AMAPK1
SCHEMBL27872243 0.68 MEN1 (0.43) DPP8DPP9MEN1KMT2AMAPK1
SCHEMBL14265357 0.68 MAPK1 (0.59) DPP8DPP9MEN1KMT2ARORC
SCHEMBL15020639 0.68 MAPK1 (0.59) DPP8DPP9MEN1KMT2ARORC
SCHEMBL2764016 0.68 MAPK1 (0.59) DPP8DPP9MEN1KMT2ARORC
SCHEMBL4899633 0.68 MAPK1 (0.59) DPP8DPP9MEN1KMT2ARORC

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
EP-0973720-A1 2-SUBSTITUTED BENZOYL-CYCLOALKYL-1-CARBOXYLIC ACID DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 2000-01-26 EP disclosed
WO-1998040344-A1 2-SUBSTITUTED BENZOYL-CYCLOALKYL-1-CARBOXYLIC ACID DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1998-09-17 WO disclosed