SCHEMBL9681234

SCHEMBL9681234

c1cc(OCC2COOC2)ccc1OCCOCC1CC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 5/20 0.44
PARP10 Q53GL7 5/20 0.44
PARP2 Q9UGN5 2/20 0.44
CHEK1 O14757 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL9681988 0.84 TDP1 (0.54) PARP15PARP10PARP2CHEK1TDP1
SCHEMBL321216 0.84 TDP1 (0.54) PARP15PARP10PARP2CHEK1TDP1
SCHEMBL1928007 0.80 TSHR (0.46) PARP15PARP10PARP2CHEK1TDP1
SCHEMBL11254102 0.78 TDP1 (0.51) PARP15PARP10PARP2TDP1
SCHEMBL321289 0.78 ADRB1 (0.50) PARP15PARP10PARP2CHEK1SIGMAR1
SCHEMBL9681242 0.78 TDP1 (0.44) PARP15PARP10PARP2CHEK1TDP1
SCHEMBL8989368 0.77 PARP15 (0.50) PARP15PARP10PARP2CHEK1TDP1
SCHEMBL29024848 0.76 PARP15 (0.64) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL11248061 0.75 LTA4H (0.51)
SCHEMBL10633504 0.75 CHEK1 (0.39) PARP15PARP10PARP2CHEK1SIGMAR1

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-0498705-A1 Phenol ethers derivatives, their preparation and their therapeutical use SYNTHELABO (FR) 1992-08-12 EP disclosed