SCHEMBL12348352

SCHEMBL12348352

CC(C)(C)OC(=O)CCC(N)(CCC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
EPHX2 P34913 1/20 0.31
CYP2D6 P10635 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
SCHEMBL328633 0.90 STING1 (0.36) STING1HDAC3HDAC1HDAC2HDAC8
SCHEMBL17521943 0.82 STING1 (0.33) STING1HDAC3HDAC1HDAC2HDAC8
SCHEMBL16751457 0.82 LMNA (0.36) STING1HDAC3HDAC1HDAC2HDAC8
SCHEMBL6895085 0.82 EPHX2 (0.35) STING1HDAC3HDAC1HDAC2HDAC8
SCHEMBL26192490 0.82 GAA (0.36) STING1HDAC3HDAC1HDAC2HDAC8
SCHEMBL25334575 0.82 ALDH1A1 (0.41) STING1HDAC3HDAC1HDAC2HDAC8
SCHEMBL21983370 0.82 GAA (0.36) STING1HDAC3HDAC1HDAC2HDAC8
SCHEMBL16334546 0.81 STING1 (0.36) STING1HDAC3HDAC1HDAC2HDAC8
SCHEMBL3960043 0.81 GRM4 (0.37) STING1HDAC3HDAC1HDAC2HDAC8
SCHEMBL24894291 0.79 FDPS (0.36)

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-8586371-B2 Optical sensors including surface modified phase-change materials for detection of chemical, biological and explosive compounds Exelis Inc. (US) 2013-11-19 US disclosed
US-8586371-B2 Optical sensors including surface modified phase-change materials for detection of chemical, biological and explosive compounds Exelis Inc. (US) 2013-11-19 US disclosed
US-20110205542-A1 Optical Sensors Including Surface Modified Phase-Change Materials for Detection of Chemical, Biological and Explosive Compounds ITT DEFENSE AND ELECTRONICS (US) 2011-08-25 US disclosed
US-20110205542-A1 Optical Sensors Including Surface Modified Phase-Change Materials for Detection of Chemical, Biological and Explosive Compounds ITT DEFENSE AND ELECTRONICS (US) 2011-08-25 US disclosed