SCHEMBL22749044

SCHEMBL22749044

O=C(O)C1=CCC(c2ccc(F)cc2)C=C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.38
KDM4E B2RXH2 1/20 0.36
PTGS2 P35354 1/20 0.35
BCL2L1 Q07817 1/20 0.34
BAD Q92934 1/20 0.34
EPHX1 P07099 2/20 0.33
HTR7 P34969 1/20 0.33
ATM Q13315 1/20 0.33
SLC9A1 P19634 1/20 0.32
CCR1 P32246 1/20 0.32
NR3C2 P08235 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
KDM1A O60341 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
HSD11B1 P28845 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL19338351 0.85 CA12 (0.35)
SCHEMBL535747 0.85 HDAC4 (0.35) CCR2KDM4EBCL2L1TDP1
Hydrochloric Acid SCHEMBL28561253 0.84 TSHR (0.39) CES2CES1TDP1
Hydrochloric Acid SCHEMBL6257138 0.83 HDAC4 (0.34) CCR2KDM4EBCL2L1TDP1
SCHEMBL3430409 0.72 PARP1 (0.35) KDM4EBCL2L1SLC9A1KDM1ATDP1
SCHEMBL15079159 0.71 MAOA (0.36) EPHX1ATMKDM1A
SCHEMBL13620759 0.70 GABRR1 (0.31)
SCHEMBL23050146 0.69 TSHR (0.41) KDM4EKDM1ATDP1
SCHEMBL4781477 0.69 ALDH1A1 (0.40) KDM4EKDM1A
SCHEMBL22115711 0.68 SNCA (0.30)

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
WO-2020245160-A1 MEDICAL USES, METHODS AND USES FENOMARK DIAGNOSTICS AB (SE) 2020-12-10 WO disclosed