SCHEMBL4464457

SCHEMBL4464457

CC1(C)CC2(CC(C)(C)c3cc(C4CCCCC4)c(O)cc32)c2cc(O)c(C3CCCCC3)cc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
NUDT1 P36639 1/20 0.37
BACE1 P56817 1/20 0.37
PTGS2 P35354 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
THRB P10828 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
CREBBP Q92793 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
SCHEMBL4463657 1.00 HSP90AA1 (0.40) HSP90AA1NUDT1BACE1PTGS2PTGDR2
SCHEMBL4467698 1.00 HSP90AA1 (0.40) HSP90AA1NUDT1BACE1PTGS2PTGDR2
SCHEMBL4467204 0.98 HSP90AA1 (0.38) HSP90AA1NUDT1BACE1PTGS2PTGDR2
SCHEMBL11158718 0.90 HSP90AA1 (0.41) HSP90AA1NUDT1BACE1PTGS2KDM4E
SCHEMBL4462316 0.86 ESR2 (0.34)
SCHEMBL4464081 0.82 SCN9A (0.30)
SCHEMBL4457787 0.80 HSP90AA1 (0.35) HSP90AA1NUDT1BACE1
SCHEMBL4461710 0.78 NUDT1 (0.34) HSP90AA1NUDT1BACE1PTGDR2
SCHEMBL4462300 0.77 NUDT1 (0.33) HSP90AA1NUDT1BACE1PTGS2CNR1
SCHEMBL29569404 0.77 RXRA (0.35) KDM4EMAPTTHRB

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