SCHEMBL6090752

SCHEMBL6090752

CCCCN(CCCC)c1ccccc1/C=C/c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 1/20 0.42
NFE2L2 Q16236 3/20 0.41
TRPA1 O75762 2/20 0.41
BCHE P06276 4/20 0.40
ACHE P22303 2/20 0.40
APP P05067 2/20 0.39
CHAT P28329 2/20 0.38
RELA Q04206 2/20 0.38
INSR P06213 1/20 0.38
GRM5 P41594 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL6090762 1.00 ATG4B (0.42) ATG4BNFE2L2TRPA1BCHEACHE
SCHEMBL2428647 0.95 NFE2L2 (0.40) ATG4BNFE2L2TRPA1BCHEACHE
SCHEMBL2428643 0.95 NFE2L2 (0.40) ATG4BNFE2L2TRPA1BCHEACHE
Iodide SCHEMBL8702272 0.86 RAB9A (0.52) APPCHATCHRM2CHRM4CHRM5
SCHEMBL3359315 0.85 ALDH1A1 (0.37) ATG4BAPPCHATINSR
SCHEMBL11206645 0.84 NFE2L2 (0.47) NFE2L2TRPA1APPCHATRELA
SCHEMBL11206640 0.84 NFE2L2 (0.47) NFE2L2TRPA1APPCHATRELA
SCHEMBL2491664 0.81 TDP1 (0.37) APP
SCHEMBL5884323 0.79 CDK4 (0.42) ATG4BTRPA1BCHEACHE
SCHEMBL5884328 0.79 CDK4 (0.42) ATG4BTRPA1BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7065277-B2 Optical alignment of optical waveguides AVAGO TECHNOLOGIES GENERAL IP (SINGAPORE) PTE. LTD. (SG) 2006-06-20 US disclosed
US-20050025428-A1 Optical alignment of optical waveguides AVAGO TECHNOLOGIES GENERAL IP (SINGAPORE) PTE. LTD. (SG) 2005-02-03 US disclosed
EP-1071909-A4 TWO-PHOTON OR HIGHER-ORDER ABSORBING OPTICAL MATERIALS CALIFORNIA INST OF TECHN (US) 2005-02-02 EP disclosed
EP-1071909-A1 TWO-PHOTON OR HIGHER-ORDER ABSORBING OPTICAL MATERIALS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2001-01-31 EP disclosed
WO-1998021521-A9 TWO-PHOTON OR HIGHER-ORDER ABSORBING OPTICAL MATERIALS AND METHODS OF USE CALIFORNIA INST OF TECHN (US) 2000-03-02 WO disclosed
WO-1999053242-A1 TWO-PHOTON OR HIGHER-ORDER ABSORBING OPTICAL MATERIALS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1999-10-21 WO disclosed
WO-1998021521-A1 TWO-PHOTON OR HIGHER-ORDER ABSORBING OPTICAL MATERIALS AND METHODS OF USE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-05-22 WO disclosed