SCHEMBL7218270

SCHEMBL7218270

CC(C)c1cccc(C2(C)OC(C)C(C)O2)c1NC(=O)CCl

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.63
SOAT1 P35610 6/20 0.47
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
SOAT2 O75908 2/20 0.39
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
TEAD1 P28347 1/20 0.35
YAP1 P46937 1/20 0.35
TEAD4 Q15561 1/20 0.35
TEAD2 Q15562 1/20 0.35
NLRP3 Q96P20 1/20 0.35

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
SCHEMBL7225461 0.84 SMN1; SMN2 (0.64) SMN1; SMN2SOAT1KMT2AMEN1TDP1
SCHEMBL7225138 0.84 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL7223109 0.83 SMN1; SMN2 (0.42) SMN1; SMN2TDP1LMNAALDH1A1HTT
SCHEMBL190379 0.79 SMN1; SMN2 (1.00) SMN1; SMN2SOAT1KMT2AMEN1TDP1
SCHEMBL10948543 0.74 SMN1; SMN2 (0.82) SMN1; SMN2SOAT1KMT2AMEN1TDP1
SCHEMBL7219654 0.72 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL7218471 0.71 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL7225295 0.70 SMN1; SMN2 (0.75) SMN1; SMN2SOAT1KMT2AMEN1TDP1
SCHEMBL7219261 0.70 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL9843936 0.68 SMN1; SMN2 (0.77) SMN1; SMN2SOAT1KMT2AMEN1TDP1

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-6521603-B2 Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring MONSANTO TECHNOLOGY LLC 2003-02-18 US claimed