SCHEMBL5597587

SCHEMBL5597587

CCOC(=O)c1cc(COP(OCCC#N)N(C(C)C)C(C)C)cc(C(=O)O)c1CC

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1530667 0.83 CA12 (0.38) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL5597328 0.82
SCHEMBL1530811 0.81 CA2 (0.36) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL14038019 0.79 MAPT (0.42) ALDH1A1GAAMAPT
SCHEMBL2229214 0.78 MRGPRX4 (0.34) KMT2A
Butane SCHEMBL1530808 0.75 MRGPRX4 (0.31)
SCHEMBL4881259 0.71 MAOB (0.36)
SCHEMBL14038187 0.70 NPC1 (0.41) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL19008194 0.70 MEN1 (0.35) GAAKMT2A
SCHEMBL14559278 0.69

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
EP-1257695-B1 BIOMOLECULES HAVING MULTIPLE ATTACHMENT MOIETIES FOR BINDING TO A SUBSTRATE SURFACE NANOGEN RECOGNOMICS GMBH (DE) 2007-03-07 EP claimed