SCHEMBL8733111

SCHEMBL8733111

CC(C)(CC1CCCCC1)OC(=O)/C=C/C(=O)OC(C)(C)CC1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
ADAM17 P78536 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
EPHX1 P07099 3/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL8733109 0.94 HCAR2 (0.37) THRATHRBGRM2GRM3CTSS
SCHEMBL8733112 0.94 HCAR2 (0.37) THRATHRBGRM2GRM3CTSS
SCHEMBL3248628 0.86 THRA (0.44) THRATHRBGRM2GRM3MMP1
SCHEMBL12895143 0.81 GAA (0.36) THRATHRBGRM2GRM3MMP1
SCHEMBL9227258 0.80 ALOX5 (0.39) GRM2GRM3MMP1MMP9MMP13
SCHEMBL27353237 0.79 GAA (0.38) THRATHRBGRM2GRM3MMP1
SCHEMBL27520063 0.78 ALOX5 (0.37) THRATHRBGRM2GRM3MMP1
SCHEMBL31352655 0.77 NAAA (0.39) GRM2GRM3MEN1MAPTKMT2A
SCHEMBL31442653 0.75 GRM2 (0.35) GRM2GRM3MMP1MMP9MMP13
SCHEMBL27766894 0.74 ALOX5 (0.37) THRATHRBGRM2GRM3MMP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63271411-A None JP disclosed
EP-0722959-B1 Highly oxygen-permeable heat-resistant material MENICON CO LTD (JP) 1998-04-08 EP disclosed
EP-0722959-A2 Highly oxygen-permeable heat-resistant material Menicon Co., Ltd. (JP) 1996-07-24 EP disclosed
EP-0524557-B1 Ocular lens material MENICON CO LTD (JP) 1996-01-17 EP disclosed
US-5391591-A A curable additional copolymer molding materials having a styrenic monomer, a hydrophilic acrylamide monomer and a crosslinkable vinylbenzyl acrylate monomer; permselectivity, tensile strength, low water absorption MENICON CO., LTD. (JP) 1995-02-21 US disclosed
US-5250583-A Polymer of fluoroalkyl silicon-containing alkyl fumarate, N-vinyllactam, acrylic or methacrylic acid, crosslinkable monomer MENICON CO., LTD. (JP) 1993-10-05 US disclosed
EP-0524557-A2 Ocular lens material Menicon Co., Ltd. (JP) 1993-01-27 EP disclosed
JP-S63271411-A CONTACT LENS MATERIAL TOME SANGYO KK 1988-11-09 JP disclosed