SCHEMBL4457051

SCHEMBL4457051

CCCCc1cc(O)ccc1C(C)(C)c1cccc(C(C)(C)c2ccc(O)cc2CCCC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.49
ESR1 P03372 4/20 0.47
ESR2 Q92731 4/20 0.47
ALOX5 P09917 4/20 0.43
CYP3A4 P08684 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
ERAP1 Q9NZ08 1/20 0.39
PTGS2 P35354 2/20 0.34
DRD2 P14416 2/20 0.34
OPRM1 P35372 2/20 0.34
DRD3 P35462 2/20 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
SCHEMBL4469282 0.96 ALOX5 (0.49) TYRESR1ESR2ALOX5CYP3A4
SCHEMBL4472437 0.94 ALOX5 (0.51) TYRESR1ESR2ALOX5CYP3A4
SCHEMBL4469294 0.94 ALOX5 (0.51) TYRESR1ESR2ALOX5CYP3A4
SCHEMBL4474773 0.91 ESR1 (0.50) TYRESR1ESR2ALOX5CYP3A4
SCHEMBL8582208 0.88 TYR (0.58) TYRESR1ESR2ALOX5CYP3A4
SCHEMBL4465516 0.84 ESR1 (0.53) TYRESR1ESR2CYP3A4ALOX15
SCHEMBL4470339 0.81 ESR1 (0.46) TYRESR1ESR2CYP3A4ALOX15
SCHEMBL29003638 0.81 TYR (0.58) TYRESR1ESR2ALOX5CYP3A4
SCHEMBL4457785 0.79 ESR1 (0.50) TYRESR1ESR2CYP3A4ALOX15
SCHEMBL11213586 0.77 TYR (0.43) TYRESR1ESR2ALOX5CYP3A4

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