SCHEMBL14280789

SCHEMBL14280789

CCCC(NCCNC(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
CTSK P43235 6/20 0.47
CTSS P25774 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
EPHX1 P07099 1/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL8017285 0.84 CAPN1 (0.46) MEN1KMT2AGAACTSKCTSS
SCHEMBL3175852 0.82 CYP1A2 (0.49) MEN1KMT2AGAACTSKCYP1A2
SCHEMBL29508434 0.81 CYP1A2 (0.61) KMT2AGAACTSKCTSSCYP1A2
SCHEMBL13560958 0.81 CYP1A2 (0.61) KMT2AGAACTSKCTSSCYP1A2
SCHEMBL14483921 0.81 CYP1A2 (0.61) KMT2AGAACTSKCTSSCYP1A2
SCHEMBL22433824 0.81 CTSK (0.50) MEN1KMT2AGAACTSKCTSS
SCHEMBL30386459 0.81 MEN1 (0.49) MEN1KMT2AGAACTSKCTSS
SCHEMBL13807196 0.80 MEN1 (0.46) MEN1KMT2AGAACTSKCTSS
SCHEMBL18760388 0.78 MEN1 (0.53) MEN1KMT2AGAACTSKCTSS
SCHEMBL24712285 0.78 MEN1 (0.47) MEN1KMT2AGAACYP1A2CYP2C9

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-7323484-B2 Farnesyl transferase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2008-01-29 US disclosed