SCHEMBL20053762

SCHEMBL20053762

O=C(O)c1ccc(C(=O)O)c(OCC2CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.52
PARP15 Q460N3 4/20 0.50
PARP10 Q53GL7 4/20 0.50
PARP2 Q9UGN5 2/20 0.50
MAP4K4 O95819 1/20 0.48
PDE4B Q07343 8/20 0.45
PDE4A P27815 5/20 0.45
PDE4C Q08493 5/20 0.45
PDE4D Q08499 5/20 0.45
XDH P47989 1/20 0.43
RXRA P19793 1/20 0.42

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
SCHEMBL28034346 0.87 PDE4B (0.53) NR1H4PARP15PARP10PARP2MAP4K4
SCHEMBL17204548 0.84 ESR1 (0.48) NR1H4PARP15PARP10PARP2MAP4K4
SCHEMBL6051023 0.84 HTT (0.54) NR1H4PARP15PARP10PARP2MAP4K4
SCHEMBL2804683 0.83 DPP4 (0.48) NR1H4PARP15PARP10PARP2MAP4K4
SCHEMBL662159 0.83 TTR (0.50) NR1H4PARP15PARP10PARP2MAP4K4
SCHEMBL17050363 0.83 NR1H4 (0.48) NR1H4PARP15PARP10PARP2MAP4K4
SCHEMBL10148399 0.83 KDM5A (0.54) NR1H4PARP15PARP10PARP2MAP4K4
SCHEMBL1031663 0.82 CA12 (0.63) PDE4BPDE4APDE4CPDE4D
SCHEMBL17204380 0.82 PARP15 (0.55) PARP15PARP10PARP2PDE4BPDE4A
SCHEMBL30575456 0.82 CA12 (0.63) PDE4BPDE4APDE4CPDE4D

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-9944612-B2 1-phenyl-2-pyridinyl alkyl alcohol derivatives as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2018-04-17 US disclosed