SCHEMBL29211100

SCHEMBL29211100

CCCCCCCCC(=C(C(=O)O)C(=O)O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.60
CES1 P23141 3/20 0.60
PTGS2 P35354 5/20 0.56
NAAA Q02083 1/20 0.50
ESR1 P03372 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL30751174 1.00 CES2 (0.60) CES2CES1PTGS2NAAAESR1
SCHEMBL15673383 1.00 CES2 (0.60) CES2CES1PTGS2NAAAESR1
SCHEMBL29211071 1.00 CES2 (0.60) CES2CES1PTGS2NAAAESR1
SCHEMBL29211134 1.00 CES2 (0.60) CES2CES1PTGS2NAAAESR1
SCHEMBL15673096 0.98 CES2 (0.59) CES2CES1PTGS2NAAAESR1
SCHEMBL15673165 0.93 PTGS2 (0.65) CES2CES1PTGS2NAAAESR1
SCHEMBL30751171 0.86 CES2 (0.60) CES2CES1PTGS2NAAA
SCHEMBL29211118 0.86 CES2 (0.60) CES2CES1PTGS2NAAA
SCHEMBL30751170 0.86 CES2 (0.60) CES2CES1PTGS2NAAA
SCHEMBL29211101 0.86 CES2 (0.60) CES2CES1PTGS2NAAA

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-117529377-A Organic binder, composition for producing inorganic material molded body, green body, degreased body, inorganic material molded body, and method for producing inorganic material molded body 株式会社吴羽 2024-02-06 CN disclosed