SCHEMBL14620899

SCHEMBL14620899

O=C(CO)OCC1CCC(CO)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
PTGIR P43119 2/20 0.31
PTGDR Q13258 1/20 0.31
POLB P06746 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ESR2 Q92731 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
SCHEMBL7261222 0.92 LMNA (0.40) LMNAPTGIRPTGDR
SCHEMBL12304458 0.84 LMNA (0.60) LMNASLC1A3SLC1A2SLC1A1POLB
SCHEMBL22829337 0.83 LMNA (0.42) LMNASLC1A3SLC1A2SLC1A1CHRM2
SCHEMBL9852714 0.83 LMNA (0.63) LMNASLC1A3SLC1A2SLC1A1POLB
SCHEMBL12446343 0.82 LMNA (0.38) LMNASLC1A3SLC1A2SLC1A1CHRM2
SCHEMBL13538559 0.80 LMNA (0.47) LMNAPOLB
SCHEMBL4892711 0.80 LMNA (0.41) LMNASLC1A3SLC1A2SLC1A1CHRM2
SCHEMBL17172522 0.79 SLC1A3 (0.34) LMNASLC1A3SLC1A2SLC1A1CHRM2
SCHEMBL22856596 0.78 LMNA (0.37) LMNASLC1A3SLC1A2SLC1A1CHRM2
SCHEMBL28479090 0.78 PARP15 (0.38) LMNASLC1A3SLC1A2SLC1A1CHRM2

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-1084170-B1 POLYETHYLENE GLYCOL-POLYORTHOESTER, POLYETHYLENE GLYCOL-POLYORTHOESTER-POLYETHYLENE GLYCOL, AND POLYORTHOESTER-POLYETHYLENE GLYCOL-POLYORTHOESTER BLOCK COPOLYMERS AP PHARMA INC (US) 2007-01-17 EP disclosed