SCHEMBL9878668

SCHEMBL9878668

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(P(c3ccccc3)c3ccccc3)C[C@H]12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
ESR1 P03372 2/20 0.43
CHRM1 P11229 1/20 0.43
SLC6A4 P31645 1/20 0.43
KCNH2 Q12809 1/20 0.43
SLC29A1 Q99808 1/20 0.43
ELANE P08246 2/20 0.38
PTGS1 P23219 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.34
PDE4A P27815 1/20 0.33
TSHR P16473 1/20 0.31

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
SCHEMBL23051170 0.79 KDM4E (0.50) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL11590192 0.76 KDM4E (0.43) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL11107810 0.76 KDM4E (0.54) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL11212338 0.75 KDM4E (0.60) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL5344466 0.75 KDM4E (0.43) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9596535 0.74 KDM4E (0.52) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9696917 0.74 KDM4E (0.53) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL9318527 0.74 KDM4E (0.45) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL16274079 0.73 KDM4E (0.51) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL11130125 0.73 KDM4E (0.51) KDM4ELMNAESR1CHRM1SLC6A4

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-4992542-A Thienamycin antibiotics MERCK & CO., INC. (US) 1991-02-12 US disclosed