SCHEMBL6895085

SCHEMBL6895085

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
STING1 Q86WV6 1/20 0.33
TSHR P16473 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC3 O15379 1/20 0.32
CYP1A2 P05177 1/20 0.31
TDP1 Q9NUW8 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 0.92 STING1 (0.36) EPHX2STING1HDAC8HDAC1HDAC2
SCHEMBL24894291 0.89 FDPS (0.36) TSHRTDP1
SCHEMBL25334575 0.89 ALDH1A1 (0.41) EPHX2STING1TSHRHDAC8HDAC1
SCHEMBL22096420 0.86 STING1 (0.31) EPHX2STING1
SCHEMBL17521943 0.85 STING1 (0.33) EPHX2STING1HDAC8HDAC1HDAC2
SCHEMBL21983370 0.85 GAA (0.36) EPHX2STING1HDAC8HDAC1HDAC2
SCHEMBL16751457 0.85 LMNA (0.36) EPHX2STING1HDAC8HDAC1HDAC2
SCHEMBL26192490 0.85 GAA (0.36) EPHX2STING1HDAC8HDAC1HDAC2
SCHEMBL23223933 0.84 EPHX2 (0.37) EPHX2STING1TSHRHDAC8HDAC1
SCHEMBL12348352 0.82 STING1 (0.34) EPHX2STING1HDAC8HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005450-B1 METHOD OF UTILIZING ISOCYANATE LINKAGES FOR FORMING MULTI-TIER CASCADE POLYMERS UNIV SOUTH FLORIDA (US) 2004-08-04 EP disclosed
US-5773551-A Method of utilizing isocyanate linkages for forming multi-tier cascade polymers UNIVERSITY OF SOUTH FLORIDA (US) 1998-06-30 US disclosed