SCHEMBL4842628

SCHEMBL4842628

CC(C)(C)OC(=O)c1c(B(O)O)[nH]c2cc(OC(F)(F)F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.45
GSK3B P49841 1/20 0.38
KDM4E B2RXH2 3/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
GABRA1 P14867 3/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
GABRA3 P34903 3/20 0.34
GABRA2 P47869 3/20 0.34
GABRA5 P31644 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRA6 Q16445 2/20 0.34

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
SCHEMBL3940036 0.88 KDM4E (0.45) KDM4EGAAKMT2A
SCHEMBL3948589 0.80 CTSV (0.48) KDM4EGABRA1GABRG2GABRB3GABRA3
SCHEMBL5960262 0.80 RAB9A (0.52) KIF11KDM4EGAAKMT2AGABRA1
SCHEMBL14784928 0.79 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL3788709 0.78 GABRA1 (0.49) KIF11KDM4EKMT2AGABRA1GABRG2
SCHEMBL3940317 0.78 ALDH1A1 (0.47) KDM4EGAAKMT2AGABRA1GABRG2
SCHEMBL31196064 0.77 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL4069744 0.77 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL27786661 0.73 MAPT (0.47) KIF11KDM4E
SCHEMBL3649418 0.71 GABRA1 (0.50) KMT2AGABRA1GABRG2GABRB3GABRA3

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-1984332-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-29 EP disclosed
EP-1979315-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-15 EP disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed