SCHEMBL7734591

SCHEMBL7734591

C=C(C#N)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 3/20 0.34
HSD11B1 P28845 5/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
STAT6 P42226 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
SLC47A1 Q96FL8 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL6349272 0.81 EPHX2 (0.41) ALDH1A1MAPTHSD11B1L3MBTL1NPSR1
SCHEMBL7922598 0.71 ALDH1A1 (0.47) ALDH1A1MAPTLMNAHSD11B1L3MBTL1
SCHEMBL7735475 0.69 HSD11B1 (0.38) ALDH1A1LMNAHSD11B1L3MBTL1SLC22A2
SCHEMBL3755487 0.69 HSD11B1 (0.38) ALDH1A1LMNAHSD11B1L3MBTL1SLC22A2
SCHEMBL6451090 0.67 ALDH1A1 (0.39) ALDH1A1MAPTLMNAHSD11B1L3MBTL1
SCHEMBL895396 0.65 GLA (0.36) ALDH1A1MAPTLMNAHSD11B1L3MBTL1
SCHEMBL1072567 0.64 ALDH1A1 (0.44) ALDH1A1MAPTLMNAHSD11B1L3MBTL1
SCHEMBL1607368 0.62 ALDH1A1 (0.47) ALDH1A1MAPTLMNANPSR1CRHBP
SCHEMBL1088117 0.62 GLA (0.42) ALDH1A1MAPTHSD11B1L3MBTL1CRHBP
SCHEMBL13178671 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399647-A Photoresist composition of 1-(1'-cyanoethenyl)adamantane FUJITSU LIMITED (JP) 1995-03-21 US claimed
JP-6016730-A None JP disclosed
JP-5339225-A None JP disclosed
JP-5339225-A None JP disclosed
EP-0990634-B1 ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES DAICEL CHEM (JP) 2013-04-10 EP disclosed
US-6429314-B1 USING 1,2-DICARBONYL DERIVATIVE OR ITS HYDROXY REDUCTIVE, OXYGEN, COBALT ACETATE METAL COMPOUND, AND N-HYDROXYPHTHALIMIDE OR OTHER IMIDE DERIVATIVE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-06 US disclosed
EP-0990634-A1 ACYLATING AGENTS, ACYLATION METHOD WITH THE USE OF THE SAME AND ADAMANTANE DERIVATIVES Daicel Chemical Industries, Ltd. (JP) 2000-04-05 EP disclosed
US-5399647-A Photoresist composition of 1-(1'-cyanoethenyl)adamantane FUJITSU LIMITED (JP) 1995-03-21 US disclosed
US-5399647-A Photoresist composition of 1-(1'-cyanoethenyl)adamantane FUJITSU LIMITED (JP) 1995-03-21 US disclosed
US-5399647-A Photoresist composition of 1-(1'-cyanoethenyl)adamantane FUJITSU LIMITED (JP) 1995-03-21 US disclosed
JP-H0616730-A COPOLYMER OF ALPHA,BETA-UNSATURATED NITRILE-CONTAINING ALICYCLIC POLYCYCLIC COMPOUND AND METHACRYLATE DERIVATIVE FUJITSU LTD 1994-01-25 JP disclosed
JP-H05339225-A 1-(1'-CYANOETHENYL)ADAMANTAN AND RESIST MATERIAL FUJITSU LTD 1993-12-21 JP disclosed
JP-H05339225-A 1-(1'-CYANOETHENYL)ADAMANTAN AND RESIST MATERIAL FUJITSU LTD 1993-12-21 JP disclosed