SCHEMBL9418339

SCHEMBL9418339

CC(=CC1CC2CCC1(C)C2(C)C)C(=O)O.CC(=CC1CCCCC1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CPB2 Q96IY4 4/20 0.33
LMNA P02545 2/20 0.33
EPHX2 P34913 2/20 0.33
ALDH1A1 P00352 1/20 0.33
DPP4 P27487 2/20 0.32
GAA P10253 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL21799353 0.90 KMT2A (0.39) MEN1KMT2ACYP2C19HTTSMN1; SMN2
SCHEMBL2029635 0.90 KMT2A (0.39) MEN1KMT2ACYP2C19HTTSMN1; SMN2
SCHEMBL20357288 0.90 KMT2A (0.39) MEN1KMT2ACYP2C19HTTSMN1; SMN2
SCHEMBL17745706 0.90 KMT2A (0.39) MEN1KMT2ACYP2C19HTTSMN1; SMN2
SCHEMBL26529 0.90 KMT2A (0.39) MEN1KMT2ACYP2C19HTTSMN1; SMN2
SCHEMBL5526293 0.79 LMNA (0.44) MEN1KMT2ACYP2C19NPSR1LMNA
SCHEMBL15826282 0.79 KMT2A (0.32) MEN1KMT2ACYP2C19HTTSMN1; SMN2
SCHEMBL444447 0.77 EPHX2 (0.38) MEN1KMT2ACYP2C19HTTSMN1; SMN2
SCHEMBL1245246 0.76 GRIK1 (0.44) HTTSMN1; SMN2ALDH1A1GAA
SCHEMBL36412 0.76 GRIK1 (0.44) HTTSMN1; SMN2ALDH1A1GAA

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
EP-0398489-B1 Film-forming emulsion containing iodine and methods of use MINNESOTA MINING & MFG (US) 1994-05-25 EP claimed