SCHEMBL11052858

SCHEMBL11052858

CCC(C(=O)OOOC(C)(C)CC)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
RECQL P46063 1/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL11057850 0.89 MEN1 (0.46) MEN1KMT2ALMNAKDM4EGAA
SCHEMBL11053559 0.88 MEN1 (0.50) MEN1KMT2ALMNAKDM4EGAA
SCHEMBL11049389 0.87 MEN1 (0.44) MEN1KMT2ALMNAKDM4EGAA
SCHEMBL10716712 0.87 MEN1 (0.44) MEN1KMT2ALMNAKDM4EGAA
SCHEMBL11049427 0.84 MEN1 (0.43) MEN1KMT2ALMNAKDM4EGAA
SCHEMBL11054511 0.84 ATM (0.41) MEN1KMT2ALMNAGAAL3MBTL1
SCHEMBL11049398 0.82 MEN1 (0.50) MEN1KMT2ALMNAKDM4EGAA
SCHEMBL10354200 0.82 MEN1 (0.45) MEN1KMT2ALMNAKDM4EGAA
SCHEMBL11059932 0.82 MEN1 (0.45) MEN1KMT2ALMNAKDM4EGAA
SCHEMBL28645163 0.81 GAA (0.55) MEN1KMT2ALMNAKDM4EGAA

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-4486580-A VINYL CHLORIDE, UNSATURATED POLYESTERS PENNWALT CORPORATION (US) 1984-12-04 US claimed
US-4486580-A VINYL CHLORIDE, UNSATURATED POLYESTERS PENNWALT CORPORATION (US) 1984-12-04 US disclosed