SCHEMBL11517892

SCHEMBL11517892

CCCCCC(C)(C)OOC(=O)OCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.45
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AKR1B1 P15121 1/20 0.34
GPR84 Q9NQS5 6/20 0.33
PPARG P37231 6/20 0.33
PPARD Q03181 6/20 0.33
PPARA Q07869 6/20 0.33
HDAC11 Q96DB2 5/20 0.33
TSHR P16473 4/20 0.33
ALDH1A1 P00352 2/20 0.33
TLR2 O60603 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FABP4 P15090 2/20 0.33
PTPN1 P18031 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33

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
SCHEMBL9625366 0.85 DGKA (0.40) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL11515057 0.85 ATM (0.45) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL11514798 0.84 MEN1 (0.37) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL11514705 0.83 ATM (0.37) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL11514255 0.83 NAAA (0.43) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL9625943 0.82 NAAA (0.46) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL11516902 0.82 NAAA (0.46) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL11516943 0.82 NAAA (0.46) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL11514254 0.82 ATM (0.36) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL11517356 0.82 LMNA (0.40) MEN1KMT2AMAPTATML3MBTL1

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