SCHEMBL7601249

SCHEMBL7601249

O=C(OCCF)c1ccc(OC(F)=C(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 4/20 0.41
TSHR P16473 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
ESR1 P03372 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 2/20 0.40
STS P08842 2/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 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
SCHEMBL7604333 0.92 MAPT (0.46) MAPTKMT2ALMNATSHRCYP1A2
SCHEMBL9006593 0.81 THRB (0.46) MAPTKMT2ALMNATSHRCYP1A2
SCHEMBL9006412 0.80 TDP1 (0.48) MAPTKMT2ALMNATSHRCYP1A2
SCHEMBL9172361 0.76 CA1 (0.60) MAPTKMT2ATSHRALDH1A1TDP1
SCHEMBL9906997 0.76 MAPT (0.38) MAPTKMT2ALMNATSHRCYP1A2
SCHEMBL29168514 0.75 ESR1 (0.67) MAPTKMT2ALMNATSHRCYP1A2
SCHEMBL5309873 0.75 ELANE (0.52) MAPTKMT2ALMNAMAPK1STS
SCHEMBL7601244 0.75 LMNA (0.41) MAPTKMT2ALMNATSHRCYP1A2
SCHEMBL13422469 0.75 PARP10 (0.59) MAPTKMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL4062238 0.73 HSD17B10 (0.53) KMT2ALMNATSHRALDH1A1TDP1

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
US-8183325-B2 Mixture of polyoxyalkylene radical, polysiloxane radicals and perfluorocyclobutane radical; medical equipment; contact lenses BAUSCH & LOMB INCORPORATED (US) 2012-05-22 US disclosed
US-7534836-B2 Polysiloxanes including cyclic polymers , polyethers, polyethersiloxanes with crosslinkable end groups including a dimerizable perfluorovinylphenyl group; polyperfluorocyclobutanes; contact/intraocular lenses; oxygen permeability; wettability' biocompatability; quality; prolonged eye contact BAUSCH & LOMB INCORPORATED (US) 2009-05-19 US disclosed
US-7402634-B2 Perfluorocyclobutane copolymers BAUSCH AND LAMB INCORPORATED (US) 2008-07-22 US disclosed
US-20070004886-A1 Biomedical devices BAUSCH & LOMB INCORPORATED 2007-01-04 US disclosed