SCHEMBL16342159

SCHEMBL16342159

O=COCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TEAD3 Q99594 2/20 0.44
TSHR P16473 1/20 0.41
LTA4H P09960 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
NAAA Q02083 3/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
GBA1 P04062 2/20 0.37
UGCG Q16739 2/20 0.37
GBA2 Q9HCG7 2/20 0.37

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
SCHEMBL97587 0.84 TSHR (0.50) TEAD3TSHRL3MBTL1TDP1NAAA
SCHEMBL97850 0.84 TSHR (0.50) TEAD3TSHRL3MBTL1TDP1NAAA
SCHEMBL97910 0.82 L3MBTL1 (0.50) TEAD3TSHRL3MBTL1TDP1NAAA
SCHEMBL2967379 0.82 L3MBTL1 (0.50) TEAD3TSHRL3MBTL1TDP1NAAA
SCHEMBL95371 0.80 TSHR (0.54) TEAD3TSHRLTA4HL3MBTL1TDP1
SCHEMBL16359215 0.78 TSHR (0.44) TEAD3TSHRLTA4HL3MBTL1TDP1
SCHEMBL13399128 0.78 TSHR (0.47) TEAD3TSHRLTA4HL3MBTL1TDP1
SCHEMBL8510909 0.78 TSHR (0.47) TEAD3TSHRLTA4HL3MBTL1TDP1
SCHEMBL16318044 0.77 TEAD3 (0.48) TEAD3TSHRLTA4HL3MBTL1TDP1
SCHEMBL13399623 0.77 TEAD3 (0.45) TEAD3TSHRL3MBTL1MEN1GAA

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
US-9175335-B2 Biomolecule interaction using atomic force microscope POSCO (KR) 2015-11-03 US disclosed
US-20140315319-A1 BIOMOLECULE INTERACTION USING ATOMIC FORCE MICROSCOPE POSCO (KR) 2014-10-23 US disclosed