SCHEMBL4460177

SCHEMBL4460177

CC(C)c1cc(O)ccc1C(C)(C)c1cccc(C(C)(C)c2ccc(O)cc2C(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.55
ESR2 Q92731 5/20 0.55
CYP3A4 P08684 4/20 0.40
ALDH1A1 P00352 3/20 0.40
GABRA1 P14867 4/20 0.39
LMNA P02545 3/20 0.39
GABRB2 P47870 3/20 0.39
CYP1A2 P05177 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
SLC6A2 P23975 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
HTR2C P28335 1/20 0.39
GABRA5 P31644 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
SCHEMBL13126792 0.86 ESR1 (0.54) ESR1ESR2CYP3A4ALDH1A1GABRA1
SCHEMBL29644494 0.85 LMNA (0.43) ESR1ESR2CYP3A4ALDH1A1GABRA1
SCHEMBL3480403 0.85 LMNA (0.43) ESR1ESR2CYP3A4ALDH1A1GABRA1
SCHEMBL14445707 0.83 RORC (0.53) ESR1ESR2CYP3A4ALDH1A1GABRA1
SCHEMBL1448894 0.80 ESR1 (0.60) ESR1ESR2CYP3A4ALDH1A1GABRA1
SCHEMBL29599541 0.80 ESR1 (0.60) ESR1ESR2CYP3A4ALDH1A1GABRA1
SCHEMBL4457785 0.79 ESR1 (0.50) ESR1ESR2CYP3A4ALDH1A1GABRA1
SCHEMBL9273606 0.79 TYR (0.42) ESR1ESR2CYP3A4ALDH1A1GABRA1
SCHEMBL4463362 0.79 ESR1 (0.58) ESR1ESR2CYP3A4ALDH1A1GABRA1
SCHEMBL4457796 0.79 ESR1 (0.58) ESR1ESR2CYP3A4ALDH1A1GABRA1

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