SCHEMBL13503202

SCHEMBL13503202

CCC(O)C(C)/C=C/C=C(\C)C1OC(=O)CC(O)CCC(C)C(OC(C)=O)/C=C/C1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SF3B3 Q15393 8/20 0.51
HMGCR P04035 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
ABCB11 O95342 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
MTOR P42345 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GMNN O75496 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL14396509 0.96 SF3B3 (0.48) SF3B3HMGCRMEN1KMT2ASMN1; SMN2
SCHEMBL14423036 0.93 SF3B3 (0.50) SF3B3HMGCRMEN1KMT2ASMN1; SMN2
SCHEMBL13503191 0.91 SF3B3 (0.46) SF3B3HMGCRMEN1KMT2ASMN1; SMN2
SCHEMBL14396197 0.91 SF3B3 (0.55) SF3B3HMGCRMEN1KMT2ASMN1; SMN2
SCHEMBL22062173 0.89 SF3B3 (0.43) SF3B3HMGCRMEN1KMT2ASMN1; SMN2
SCHEMBL22062185 0.89 SF3B3 (0.43) SF3B3HMGCRMEN1KMT2ASMN1; SMN2
SCHEMBL371282 0.87 SF3B3 (0.69) SF3B3HMGCRMEN1KMT2ASMN1; SMN2
SCHEMBL24959846 0.86 SF3B3 (0.44) SF3B3HMGCRMEN1KMT2ASMN1; SMN2
SCHEMBL18672301 0.86 SF3B3 (0.49) SF3B3
SCHEMBL12394079 0.83 SF3B3 (0.48) SF3B3

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-7667052-B2 Bioactive substance EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-23 US disclosed
US-7667052-B2 Bioactive substance EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-23 US disclosed