SCHEMBL4463750

SCHEMBL4463750

CCCCOc1cc(O)ccc1C(C)(C)c1cccc(C(C)(C)c2ccc(O)cc2OCCCC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.45
ESR2 Q92731 2/20 0.45
LTA4H P09960 2/20 0.40
NR5A1 Q13285 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
PTPN1 P18031 1/20 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
SCHEMBL4465968 0.93 ESR1 (0.46) ESR1ESR2LTA4HMEN1ALDH1A1
SCHEMBL4471833 0.87 ESR1 (0.49) ESR1ESR2LTA4HMEN1ALDH1A1
SCHEMBL4640550 0.82 LTA4H (0.46) ESR1ESR2LTA4HNR5A1MEN1
SCHEMBL957234 0.81 LTA4H (0.43) ESR1LTA4HNR5A1MEN1NPC1
SCHEMBL8113342 0.79 ESR1 (0.53) ESR1ESR2MEN1ALDH1A1GAA
SCHEMBL4457051 0.77 TYR (0.49) ESR1ESR2MEN1ALDH1A1GAA
SCHEMBL9698493 0.77 NR5A1 (0.51) ESR1LTA4HNR5A1ALDH1A1L3MBTL1
SCHEMBL4467564 0.76 ESR1 (0.44) ESR1ESR2LTA4HMEN1ALDH1A1
SCHEMBL4469282 0.76 ALOX5 (0.49) ESR1ESR2MEN1ALDH1A1GAA
SCHEMBL8108512 0.75 ESR1 (0.49) ESR1ESR2ALDH1A1CYP2C9

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-7582355-B2 Optical unit using plastic lenses FUJIFILM CORPORATION (JP) 2009-09-01 US disclosed
US-20060046065-A1 Optical unit using plastic lenses FUJI PHOTO FILM CO., LTD. 2006-03-02 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