SCHEMBL7601244

SCHEMBL7601244

CC(CCCCOC(=O)c1ccc(OC(F)=C(F)F)cc1)OCCOC(=O)c1ccc(OC(F)=C(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
ESR1 P03372 1/20 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
SMN1; SMN2 Q16637 1/20 0.41
STS P08842 7/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PDE4D Q08499 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9906997 0.84 MAPT (0.38) LMNACYP1A2TSHRCYP2C19ESR1
SCHEMBL7604333 0.82 MAPT (0.46) LMNACYP1A2TSHRCYP2C19ESR1
SCHEMBL9487391 0.79 MAPT (0.53) LMNACYP1A2TSHRCYP2C19ESR1
SCHEMBL9488544 0.78 NPC1 (0.59) LMNACYP1A2TSHRCYP2C19CYP2D6
SCHEMBL9487282 0.78 NPC1 (0.59) LMNACYP1A2TSHRCYP2C19CYP2D6
SCHEMBL9489079 0.78 NPC1 (0.59) LMNACYP1A2TSHRCYP2C19CYP2D6
SCHEMBL9487784 0.78 NPC1 (0.59) LMNACYP1A2TSHRCYP2C19CYP2D6
SCHEMBL9487347 0.78 NPC1 (0.59) LMNACYP1A2TSHRCYP2C19CYP2D6
SCHEMBL9488901 0.78 NPC1 (0.59) LMNACYP1A2TSHRCYP2C19CYP2D6
SCHEMBL7601249 0.75 MAPT (0.43) LMNACYP1A2TSHRCYP2C19ESR1

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-20080234454-A1 PERFLUOROCYCLOBUTANE COPOLYMERS PRZEDSIEBIORSTWO FARMACEUTYCZNE JELFA SPOLKA AKCYJNA (A/K/A PRZEDSIEBIORSTWO FARMACEUTYCZNE JELFA S.A.) (PL) 2008-09-25 US disclosed
US-20070004886-A1 Biomedical devices BAUSCH & LOMB INCORPORATED 2007-01-04 US disclosed