SCHEMBL1023950

SCHEMBL1023950

CCCCCC1=C(c2ccccc2)C(=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
GPR84 Q9NQS5 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
HSD11B1 P28845 1/20 0.38
KCNH2 Q12809 1/20 0.37
NR5A2 O00482 6/20 0.37
HTT P42858 1/20 0.37
SCD O00767 1/20 0.37
NR5A1 Q13285 5/20 0.36
DHFR P00374 1/20 0.35

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
SCHEMBL1020565 0.84 PTGS1 (0.44) PTGS1PTGS2HTT
SCHEMBL1023426 0.83 PTGS1 (0.48) PTGS1PTGS2
SCHEMBL1021652 0.83 PTGS1 (0.48) PTGS1PTGS2NR5A2NR5A1
SCHEMBL1022353 0.81 TLR8 (0.37) PTGS2HTT
SCHEMBL1022344 0.81 RARB (0.45) GPR84HSD11B1
SCHEMBL1022110 0.79 PTGS1 (0.46) PTGS1PTGS2HTT
SCHEMBL1023988 0.79 DRD2 (0.35) SCD
SCHEMBL1021653 0.79 KDM4E (0.37) HTT
SCHEMBL1021752 0.79 RARB (0.55) PTGS1
SCHEMBL1022577 0.79 ALDH1A1 (0.43) KCNH2

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
EP-1841729-B1 2-CYCLOPENTEN-1-ONE OXIME DERIVATIVES INHIBITING PRODUCTION OF TNF-ALPHA AMOREPACIFIC CORP (KR) 2011-01-12 EP claimed