SCHEMBL29004671

SCHEMBL29004671

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
SLC1A1 P43005 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 3/20 0.36
CA14 Q9ULX7 3/20 0.36
POLB P06746 1/20 0.36
POLA1 P09884 1/20 0.36
CTSK P43235 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL4904869 0.87 TSHR (0.46) TSHRSMN1; SMN2CA12CA14POLB
SCHEMBL11352922 0.86 TSHR (0.47) TSHRSLC1A1SMN1; SMN2CA12CA14
SCHEMBL4904536 0.86 POLB (0.46) TSHRSMN1; SMN2CA12CA14POLB
SCHEMBL12974997 0.84 L3MBTL1 (0.47) TSHRSMN1; SMN2POLBPOLA1LMNA
SCHEMBL3043590 0.83 L3MBTL1 (0.45) TSHRSMN1; SMN2POLBKMT2ALMNA
SCHEMBL18271802 0.82 TSHR (0.38) TSHRSMN1; SMN2POLBPOLA1CTSK
SCHEMBL27986751 0.80 TSHR (0.47) TSHRSMN1; SMN2CA12CA14POLB
SCHEMBL12975021 0.79 POLB (0.50) TSHRSMN1; SMN2CA12CA14POLB
SCHEMBL16021261 0.79 POLB (0.50) TSHRSMN1; SMN2CA12CA14POLB
SCHEMBL17788701 0.79 POLB (0.50) TSHRSMN1; SMN2CA12CA14POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115960074-A Fluorine-containing ferroelectric liquid crystal molecules containing heteroatom hexatomic alicyclic ring and synthesis method thereof 华南理工大学 2023-04-14 CN disclosed