SCHEMBL7469745

SCHEMBL7469745

CC(=O)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
IDO1 P14902 2/20 0.45
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
CSF1R P07333 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT3 P36888 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
SCHEMBL27872973 0.84 POLQ (0.52) POLQMAOBMAOAIDO1KDM4E
SCHEMBL871601 0.83 POLQ (0.55) POLQMAOBMAOAIDO1KDM4E
SCHEMBL30474543 0.83 POLQ (0.55) POLQMAOBMAOAIDO1KDM4E
SCHEMBL265536 0.81 POLQ (0.59) POLQMAOBMAOAIDO1KDM4E
SCHEMBL31173765 0.81 POLQ (0.59) POLQMAOBMAOAIDO1KDM4E
SCHEMBL3801344 0.81 POLQ (0.56) POLQMAOBMAOAIDO1KDM4E
SCHEMBL7472551 0.80 IDO1 (0.49) POLQIDO1HDAC1EPHX2PPARG
SCHEMBL11922692 0.78 POLQ (0.56) POLQMAOBMAOAIDO1KDM4E
SCHEMBL31402799 0.78 POLQ (0.56) POLQMAOBMAOAIDO1KDM4E
SCHEMBL8995861 0.78 SIRT5 (0.41) ALDH1A1TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
US-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed