SCHEMBL11230296

SCHEMBL11230296

O=C(Oc1ccc(OCCCCCOc2ccc(OC(=O)C(Cl)CCCl)cc2)cc1)C(Cl)CCCl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.41
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.39
PLA2G4B P0C869 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RARB P10826 1/20 0.38
FAAH O00519 4/20 0.38

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
SCHEMBL7062943 0.80 ATM (0.44) L3MBTL1MAPTTDP1
SCHEMBL7976235 0.78 TDP1 (0.42) L3MBTL1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL7971353 0.76 TDP1 (0.41) L3MBTL1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL11236230 0.75 ACLY (0.38) HTTNPC1LMNA
SCHEMBL11230290 0.73 GAA (0.45) GAAL3MBTL1HTTKMT2ANFKB1
SCHEMBL11233323 0.73 ALDH1A1 (0.43) L3MBTL1KMT2ASMN1; SMN2TSHRPLA2G4B
SCHEMBL9803567 0.73 RARB (0.54) NFKB1NFKB2RELANPC1LMNA
SCHEMBL9802921 0.73 RARB (0.54) NFKB1NFKB2RELANPC1LMNA
SCHEMBL9803347 0.73 RARB (0.54) NFKB1NFKB2RELANPC1LMNA
SCHEMBL9803426 0.73 RARB (0.54) NFKB1NFKB2RELANPC1LMNA

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-4320144-A Fungicidal use of diphenyl esters of alkylenes GAF CORPORATION (US) 1982-03-16 US disclosed