SCHEMBL8733112

SCHEMBL8733112

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.36
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NLRP1 Q9C000 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
AKR1C3 P42330 1/20 0.33

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 1.00 HCAR2 (0.37) HCAR2HTTSMN1; SMN2NPC1GAA
SCHEMBL8733111 0.94 THRA (0.35) SMN1; SMN2ATMGRM2GRM3LMNA
SCHEMBL3248628 0.81 THRA (0.44) SMN1; SMN2ATMGRM2GRM3LMNA
SCHEMBL12895143 0.76 GAA (0.36) SMN1; SMN2GAAATMGRM2GRM3
SCHEMBL7778356 0.76 HCAR2 (0.38) HCAR2ATM
SCHEMBL7778355 0.76 HCAR2 (0.38) HCAR2ATM
SCHEMBL9576255 0.76 HTT (0.33) HTTSMN1; SMN2NPC1GAAGRM2
SCHEMBL31190307 0.76 HTT (0.40) HCAR2HTTSMN1; SMN2NPC1GAA
SCHEMBL9227258 0.75 ALOX5 (0.39) ATMGRM2GRM3MEN1MAPT
SCHEMBL27353237 0.74 GAA (0.38) SMN1; SMN2GAAATMGRM2GRM3

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