SCHEMBL11517458

SCHEMBL11517458

CCCCCC(C)(C)OOC(=O)OC1C(C)(C)C(OC(=O)OOC(C)(C)CCCCC)C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CES2 O00748 1/20 0.32
SMPD1 P17405 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
GGPS1 O95749 2/20 0.30
FDPS P14324 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
SCHEMBL11514776 0.83 NAAA (0.41) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL11516680 0.80 NAAA (0.49)
SCHEMBL11517840 0.79 NAAA (0.50)
SCHEMBL11516351 0.79 NAAA (0.50)
SCHEMBL11517597 0.79 NAAA (0.50)
SCHEMBL9625366 0.78 DGKA (0.40) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL11515057 0.78 ATM (0.45) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL11514364 0.78 LMNA (0.39) MEN1KMT2A
SCHEMBL11515254 0.77 EPHX2 (0.36) L3MBTL1
SCHEMBL11514255 0.77 NAAA (0.43) MEN1MAPTKMT2AATML3MBTL1

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
US-4136105-A POLYMERIZATION CATALYSTS, CURING AGENTS, FOR UNSATURATED POLYESTERS PENNWALT CORPORATION (US) 1979-01-23 US disclosed