SCHEMBL4462300

SCHEMBL4462300

CCC1C(C)(C)c2cc(C3CCCCC3)c(O)cc2C12CC(C)(C)c1cc(C3CCCCC3)c(O)cc12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.33
BACE1 P56817 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CNR1 P21554 2/20 0.30
CNR2 P34972 2/20 0.30
PTGS2 P35354 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
SCHEMBL4460086 0.84 NUDT1 (0.33) NUDT1BACE1HSP90AA1CNR1CNR2
SCHEMBL4457787 0.84 HSP90AA1 (0.35) NUDT1BACE1HSP90AA1
SCHEMBL4461710 0.81 NUDT1 (0.34) NUDT1BACE1HSP90AA1
SCHEMBL11158718 0.80 HSP90AA1 (0.41) NUDT1BACE1HSP90AA1CNR1CNR2
SCHEMBL4464457 0.77 HSP90AA1 (0.40) NUDT1BACE1HSP90AA1CNR1CNR2
SCHEMBL4467698 0.77 HSP90AA1 (0.40) NUDT1BACE1HSP90AA1CNR1CNR2
SCHEMBL4463657 0.77 HSP90AA1 (0.40) NUDT1BACE1HSP90AA1CNR1CNR2
SCHEMBL4467204 0.76 HSP90AA1 (0.38) NUDT1BACE1HSP90AA1PTGS2
SCHEMBL11157425 0.72 HSP90AA1 (0.40) NUDT1BACE1HSP90AA1CNR1CNR2
SCHEMBL4462316 0.65 ESR2 (0.34)

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