SCHEMBL27872973

SCHEMBL27872973

CC(C)(C)OC(=O)Cc1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.52
MAOB P27338 2/20 0.50
MAOA P21397 1/20 0.50
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
IDO1 P14902 2/20 0.45
ANO1 Q5XXA6 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.41
RBP4 P02753 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL9863289 0.84 MTNR1A (0.52) MTNR1AMTNR1BKDM4EALDH1A1HTT
SCHEMBL7469745 0.84 POLQ (0.52) POLQMAOBMAOAIDO1KDM4E
SCHEMBL29209917 0.84 MTNR1A (0.44) POLQMAOBMAOALMNAPOLB
SCHEMBL871601 0.83 POLQ (0.55) POLQMAOBMAOAPOLBIDO1
SCHEMBL30474543 0.83 POLQ (0.55) POLQMAOBMAOAPOLBIDO1
SCHEMBL265536 0.81 POLQ (0.59) POLQMAOBMAOAPOLBIDO1
SCHEMBL31173765 0.81 POLQ (0.59) POLQMAOBMAOAPOLBIDO1
SCHEMBL3801344 0.81 POLQ (0.56) POLQMAOBMAOAIDO1KDM4E
SCHEMBL19994734 0.80 MTNR1A (0.51) MAOBMTNR1AMTNR1BALDH1A1TDP1
SCHEMBL27856309 0.79 POLQ (0.54) POLQMTNR1AMTNR1BIDO1KDM4E

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-102482276-A Heterocyclic compounds and their use TAKEDA PHARMACEUTICAL 2012-05-30 CN disclosed