SCHEMBL16005251

SCHEMBL16005251

NCCCC(O)(O)C(O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.44
PDE3A Q14432 2/20 0.44
NFKB1 P19838 1/20 0.35
ODC1 P11926 2/20 0.34
LMNA P02545 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
BLM P54132 2/20 0.33
DNM1 Q05193 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL16005520 0.88 FDPS (0.48) FDPSPDE3ANFKB1LMNACA12
SCHEMBL16005577 0.88 FDPS (0.48) FDPSPDE3ANFKB1LMNACA12
SCHEMBL16005513 0.88 FDPS (0.48) FDPSPDE3ANFKB1LMNACA12
SCHEMBL16005687 0.88 FDPS (0.48) FDPSPDE3ANFKB1LMNACA12
SCHEMBL16005410 0.75 FDPS (0.43) FDPSPDE3ANFKB1LMNACA12
SCHEMBL4964162 0.73
SCHEMBL16005638 0.73 FDPS (0.45) FDPSPDE3ANFKB1LMNACA12
SCHEMBL16005372 0.73 FDPS (0.45) FDPSPDE3ANFKB1LMNACA12
SCHEMBL16005472 0.73 FDPS (0.45) FDPSPDE3ANFKB1LMNACA12
SCHEMBL9298801 0.71

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
EP-2774915-A1 New derivatives of resveratrol Mattarei, Andrea (IT) 2014-09-10 EP claimed
EP-2774915-A1 New derivatives of resveratrol Mattarei, Andrea (IT) 2014-09-10 EP disclosed