SCHEMBL29956777

SCHEMBL29956777

Nc1ccc(OC(F)(F)F)c(C=O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.35
APP P05067 3/20 0.35
EPAS1 Q99814 1/20 0.35
TSHR P16473 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE2A O00408 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.32
MPL P40238 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
LMNA P02545 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
GMNN O75496 1/20 0.31

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
SCHEMBL29953626 0.86 ALDH1A1 (0.37) EPHX2APPTSHRGAAKDM4E
SCHEMBL6500895 0.80 GPR3 (0.42) EPHX2EPAS1GAAKDM4EALDH1A1
SCHEMBL29377196 0.79 PTGDR2 (0.51) EPHX2EPAS1TSHRALDH1A1POLB
SCHEMBL21266933 0.79 ALDH1A1 (0.41) EPHX2APPEPAS1TSHRGAA
SCHEMBL26111715 0.79 EPHX2 (0.38) EPHX2APPEPAS1TSHRGAA
SCHEMBL32682731 0.79 ERN1 (0.47) EPAS1KDM4EALDH1A1TDP1PKM
SCHEMBL408055 0.79 PTGDR2 (0.51) EPHX2EPAS1TSHRALDH1A1POLB
SCHEMBL30134318 0.79 EPHX2 (0.38) EPHX2APPEPAS1TSHRGAA
SCHEMBL20303480 0.79 ERN1 (0.47) EPAS1KDM4EALDH1A1TDP1PKM
SCHEMBL9367414 0.77 GAA (0.40) EPHX2APPTSHRGAAKDM4E

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed