SCHEMBL4459036

SCHEMBL4459036

CC([O])OCCOc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.52
PKM P14618 2/20 0.52
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
HTR1B P28222 2/20 0.47
LMNA P02545 1/20 0.47
HTR1D P28221 1/20 0.47
ALDH1A1 P00352 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
RECQL P46063 1/20 0.47
PARP10 Q53GL7 1/20 0.46
LTA4H P09960 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
PTGER4 P35408 1/20 0.45
PTGER2 P43116 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44

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
SCHEMBL6564405 0.83 KCNA3 (0.56) KCNA3PKMMAPTRAB9AHTR1B
SCHEMBL11661699 0.80 KCNA3 (0.52) KCNA3PKMMAPTRAB9AHTR1B
SCHEMBL10228463 0.80 KCNA3 (0.52) KCNA3PKMMAPTRAB9AHTR1B
SCHEMBL3169811 0.80 LMNA (0.57) KCNA3PKMMAPTRAB9AHTR1B
SCHEMBL7684374 0.80 KCNA3 (0.52) KCNA3PKMMAPTRAB9AHTR1B
SCHEMBL19119440 0.79 PKM (0.53) KCNA3PKMMAPTRAB9ALMNA
SCHEMBL3161500 0.79 KCNA3 (0.61) KCNA3PKMHTR1BHTR1DALDH1A1
SCHEMBL12459841 0.78 KCNA3 (0.50) KCNA3PKMMAPTRAB9AHTR1B
SCHEMBL775134 0.78 KCNA3 (0.50) KCNA3PKMMAPTRAB9AHTR1B
SCHEMBL13588495 0.78 KCNA3 (0.50) KCNA3PKMHTR1BLMNAHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582355-B2 Optical unit using plastic lenses FUJIFILM CORPORATION (JP) 2009-09-01 US disclosed
EP-1057808-B1 Sulfur-containing unsaturated carboxylate compound and its use MITSUI CHEMICALS INC (JP) 2007-03-14 EP disclosed
US-20060046065-A1 Optical unit using plastic lenses FUJI PHOTO FILM CO., LTD. 2006-03-02 US disclosed
US-6458908-B1 A PROCESS FOR PREPARING A SULFUR-CONTAINING UNSATURATED CARBOXYLATE COMPOUND AS CLAIMED IN CLAIM 1 COMPRISING REACTING A SULFUR-CONTAINING DERIVATIVE FOR OPTICAL POLYMERS MITSUI CHEMICALS, INC. (JP) 2002-10-01 US disclosed
EP-0737701-B1 Epoxy acrylate resins and their uses MITSUI CHEMICALS INC (JP) 2002-03-06 EP disclosed
EP-1057808-A2 Sulfur-containing unsaturated carboxylate compound and its use Mitsui Chemicals, Inc. (JP) 2000-12-06 EP disclosed
US-6080833-A BIS(HYDROXYALKOXYLATED) 1,1'-SPIROBIINDAN POLYCARBONATES AND POLYESTERS POLYMERS AND CURABLE COMPOUNDS SUCH AS BIS(ACRYLATED ALKOXY)SPIROBIINDANS; ALSO POLYAMIDES AND POLYIMIDES CONTAINING SPIROBIINDAN GROUPS MITSUI CHEMICALS, INC. (JP) 2000-06-27 US disclosed
US-6028161-A EXCELLENT TRANSPARENCY, HEAT RESISTANCE AND MECHANICAL PROPERTIES AND A LOW BIREFRINGENCE, MELT FLUIDITY AND MOLDABILITY; AN OPTICAL DISK, LENS AND AN OPTICAL FIBER MITSUI CHEMICALS, INC. (JP) 2000-02-22 US disclosed
EP-0926180-A2 A polycarbonate copolymer and applications thereof Mitsui Chemicals, Inc. (JP) 1999-06-30 EP disclosed
EP-0822545-A2 Optical component and spirobiindan polymer therefor MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1998-02-04 EP disclosed
US-5677398-A CURABLE EPOXY RESIN, EPOXY COMPOUND OR ADDUCT COMPRISING A TETRAMETHYLSPIROBIINDENE-DIOL; RESISTANT OF SOLDERING, HEAT, MOISTURE, CORROSION, ACID, ALKALI, CHEMICAL; INKS FOR PRINTED-WIRING BOARD MITSUI TOATSU CHEMICALS, INC. (JP) 1997-10-14 US disclosed
EP-0737701-A2 Epoxy acrylate resins and their uses MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-10-16 EP disclosed