SCHEMBL29138909

SCHEMBL29138909

O=CN1CCCOC[C@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.36
AKR1C3 P42330 1/20 0.35
PDE2A O00408 1/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
F2R P25116 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HTR2C P28335 2/20 0.32

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
SCHEMBL29138883 1.00 EPHX2 (0.36) EPHX2AKR1C3PDE2AHIF1AEPAS1
SCHEMBL29138870 0.92 AKR1C3 (0.39) EPHX2AKR1C3PDE2AHIF1AEPAS1
SCHEMBL29138796 0.92 AKR1C3 (0.39) EPHX2AKR1C3PDE2AHIF1AEPAS1
SCHEMBL29138918 0.92 AKR1C3 (0.39) EPHX2AKR1C3PDE2AHIF1AEPAS1
Trifluoroacetic Acid SCHEMBL29138866 0.85 AKR1C3 (0.40) EPHX2AKR1C3HIF1AEPAS1F2R
SCHEMBL28148132 0.81 PDE2A (0.40) PDE2AKMT2AMEN1HPGDTSHR
SCHEMBL29138867 0.81 MLYCD (0.32)
SCHEMBL29236303 0.80 PDE2A (0.41) PDE2AKMT2AMEN1HPGDTSHR
SCHEMBL29138862 0.76 HDAC1 (0.38) AKR1C3KMT2A
SCHEMBL29138873 0.75 PRKDC (0.41) EPHX2

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
CN-116888120-A PRMTS inhibitors 美国安进公司 2023-10-13 CN disclosed