SCHEMBL4459389

SCHEMBL4459389

CCCCOCCc1cc2c(cc1O)C1(CC2(C)C)CC(C)(C)c2cc(CCOCCCC)c(O)cc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 1/20 0.35
RXRA P19793 2/20 0.34
TYR P14679 2/20 0.33
HMGCR P04035 1/20 0.33
CNR2 P34972 8/20 0.31
CNR1 P21554 3/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
ALOX5 P09917 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ESR1 P03372 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL4471829 0.95 TYR (0.36) TSHRCYP3A4ALDH1A1RXRATYR
SCHEMBL4460121 0.91 CNR2 (0.38) TSHRCYP3A4RXRATYRCNR2
SCHEMBL4471806 0.89
SCHEMBL4462294 0.87 TYR (0.44) TSHRCYP3A4ALDH1A1RXRATYR
SCHEMBL4474017 0.86 ESR1 (0.31) ESR1
SCHEMBL4463972 0.86 POLB (0.31)
SCHEMBL4460617 0.86 ALOX5 (0.44) TSHRCYP3A4ALDH1A1RXRATYR
SCHEMBL4472385 0.85 ALOX5 (0.46) TSHRCYP3A4ALDH1A1TYRCNR2
SCHEMBL4464622 0.85 ALOX5 (0.46) TSHRCYP3A4ALDH1A1TYRCNR2
SCHEMBL4455749 0.85 ALOX5 (0.46) TSHRCYP3A4ALDH1A1TYRCNR2

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