SCHEMBL9801519

SCHEMBL9801519

C=C(C)C(=O)OC(C)(C)OC(=O)C1CCCCC1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C19 P33261 1/20 0.31
BTK Q06187 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
PEPD P12955 1/20 0.31
TSHR P16473 1/20 0.30
RECQL P46063 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL10208009 0.82 KDM4E (0.31) KDM4EHTTSMN1; SMN2PEPD
SCHEMBL20480981 0.78 KDM4E (0.38) KDM4EHTTSMN1; SMN2CYP2C19ALDH1A1
SCHEMBL1296980 0.78 BTK (0.44) KDM4EHTTSMN1; SMN2CYP2C19BTK
SCHEMBL3440782 0.77 KDM4E (0.37) KDM4EHTTSMN1; SMN2CYP2C19ALDH1A1
SCHEMBL8849501 0.75 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10
SCHEMBL23004339 0.74 BTK (0.47) BTKPEPDHSD17B10
SCHEMBL18590666 0.74 BTK (0.47) BTKPEPDHSD17B10
SCHEMBL15023147 0.74 BTK (0.47) BTKPEPDHSD17B10
SCHEMBL16243762 0.74 ALDH1A1 (0.38) KDM4EHTTSMN1; SMN2ALDH1A1PEPD
SCHEMBL25475952 0.73 ALDH1A1 (0.34) ALDH1A1

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-4985474-A PLUGGING HOLES IN PRINTED CIRCUIT BOARDS SOMAR CORPORATION (JP) 1991-01-15 US claimed
US-4985474-A PLUGGING HOLES IN PRINTED CIRCUIT BOARDS SOMAR CORPORATION (JP) 1991-01-15 US disclosed