SCHEMBL11397641

SCHEMBL11397641

CCCCCCCCCC(=O)OCn1cc(F)c(=O)[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
SQOR Q9Y6N5 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPK3 P27361 1/20 0.51
ASAH1 Q13510 1/20 0.51
TK1 P04183 1/20 0.49
CYP1A2 P05177 4/20 0.46
CYP2C19 P33261 3/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46
CYP2C9 P11712 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44

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
SCHEMBL11400022 1.00 LMNA (0.61) LMNASQORSMN1; SMN2CYP3A4CYP2D6
SCHEMBL11397990 1.00 LMNA (0.61) LMNASQORSMN1; SMN2CYP3A4CYP2D6
SCHEMBL11393256 1.00 LMNA (0.61) LMNASQORSMN1; SMN2CYP3A4CYP2D6
SCHEMBL11398673 1.00 LMNA (0.61) LMNASQORSMN1; SMN2CYP3A4CYP2D6
SCHEMBL11397642 0.99 LMNA (0.62) LMNASQORSMN1; SMN2CYP3A4CYP2D6
SCHEMBL11399951 0.95 LMNA (0.64) LMNASQORSMN1; SMN2CYP3A4CYP2D6
SCHEMBL5479694 0.89 LMNA (0.67) LMNASQORSMN1; SMN2CYP3A4CYP2D6
SCHEMBL15760865 0.89 LMNA (0.60) LMNASQORSMN1; SMN2CYP3A4CYP2D6
SCHEMBL14340500 0.89 LMNA (0.60) LMNASQORSMN1; SMN2CYP3A4CYP2D6
SCHEMBL423731 0.88 LMNA (0.55) LMNASQORSMN1; SMN2CYP3A4CYP2D6

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-4267326-A AS ANTITUMOR AGENTS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1981-05-12 US claimed
US-4267326-A AS ANTITUMOR AGENTS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1981-05-12 US disclosed