SCHEMBL1833734

SCHEMBL1833734

CC(N)O.O=C(O)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 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
SCHEMBL28778354 0.85 SMN1; SMN2 (0.40) SMN1; SMN2PKMFABP3FABP4MEN1
SCHEMBL1131921 0.82 SMN1; SMN2 (0.41) SMN1; SMN2PKMFABP3FABP4MEN1
SCHEMBL1832708 0.82 SMN1; SMN2 (0.46) SMN1; SMN2PKMFABP3FABP4MEN1
SCHEMBL1833415 0.82 SMN1; SMN2 (0.46) SMN1; SMN2PKMFABP3FABP4MEN1
Hydroxyamine SCHEMBL31050881 0.82 CES2 (0.40) SMN1; SMN2PKMMEN1KMT2ACRHBP
SCHEMBL203915 0.82 CES2 (0.43) SMN1; SMN2PKMMEN1KMT2ACRHBP
SCHEMBL336420 0.79 CES2 (0.42) SMN1; SMN2PKMMEN1KMT2ACRHBP
Ammonia Solution, Strong SCHEMBL20291864 0.79 CES2 (0.42) SMN1; SMN2PKMMEN1KMT2ACRHBP
SCHEMBL16756190 0.79 CES2 (0.42) SMN1; SMN2PKMMEN1KMT2ACRHBP
Hydrochloric Acid SCHEMBL11033629 0.79 CES2 (0.42) SMN1; SMN2PKMMEN1KMT2ACRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328220-B2 Liquids INNOVIA FILMS LIMITED (GB) 2016-05-03 US disclosed
US-8992798-B2 Liquids INNOVIA FILMS LIMITED (GB) 2015-03-31 US disclosed
US-8784686-B2 Liquids INNOVIA FILMS LIMITED (GB) 2014-07-22 US disclosed
US-20140187684-A1 LIQUIDS INNOVIA FILMS LIMITED (GB) 2014-07-03 US disclosed
US-20110257433-A1 LIQUIDS THE UNIVERSITY OF YORK (GB) 2011-10-20 US disclosed
EP-2322497-A1 Ionic liquids comprising nitrogen containing cations Innovia Films Limited (GB) 2011-05-18 EP disclosed
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US disclosed