SCHEMBL17065796

SCHEMBL17065796

O=C(C(=O)C(F)(F)F)c1cccs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.65
CES1 P23141 2/20 0.65
DAO P14920 1/20 0.52
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
HDAC1 Q13547 1/20 0.48
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGDS O60760 1/20 0.46

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
SCHEMBL30318842 0.87 CES2 (0.59) CES2CES1DAONPC1RAB9A
SCHEMBL14886358 0.85 CES2 (0.57) CES2CES1DAONPC1RAB9A
SCHEMBL1066873 0.80 CES2 (1.00) CES2CES1DAONPC1RAB9A
SCHEMBL10001198 0.80 CES2 (0.65) CES2CES1DAONPC1RAB9A
SCHEMBL1760911 0.79 CES1 (0.58) CES2CES1DAONPC1RAB9A
SCHEMBL7704645 0.77 CES2 (0.55) CES2CES1DAONPC1RAB9A
SCHEMBL3876236 0.77 CES2 (0.46) CES2CES1DAONPC1RAB9A
SCHEMBL9148741 0.76 CES2 (0.81) CES2CES1DAONPC1RAB9A
Thiophene Carboxylic Acid SCHEMBL4617799 0.76 DAO (0.76) CES2CES1DAONPC1RAB9A
SCHEMBL16080821 0.75 CES2 (0.53) CES2CES1DAONPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015133999-A1 BACKLIGHT UNITS AND METHODS OF MAKING THE SAME EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2015-09-11 WO claimed
US-20170075169-A1 BACKLIGHT UNITS AND METHODS OF MAKING THE SAME EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2017-03-16 US disclosed
WO-2015133999-A1 BACKLIGHT UNITS AND METHODS OF MAKING THE SAME EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2015-09-11 WO disclosed