SCHEMBL4685392

SCHEMBL4685392

COc1cc(OCCO)ccc1C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.60
PARP10 Q53GL7 4/20 0.60
PARP14 Q460N5 1/20 0.49
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
RAD52 P43351 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
STING1 Q86WV6 1/20 0.47
HIF1A Q16665 1/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 2/20 0.45
GAA P10253 1/20 0.45
BRD4 O60885 1/20 0.43
BRD1 O95696 1/20 0.43
PARP1 P09874 1/20 0.43

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
SCHEMBL4684034 0.93 PARP15 (0.59) PARP15PARP10PARP14ALDH1A1HPGD
SCHEMBL4684289 0.90 PARP15 (0.56) PARP15PARP10PARP14ALDH1A1HPGD
SCHEMBL4685284 0.90 PARP15 (0.61) PARP15PARP10PARP14ALDH1A1HPGD
SCHEMBL4687671 0.88 PARP15 (0.60) PARP15PARP10PARP14ALDH1A1HPGD
SCHEMBL11775703 0.86 ALDH1A1 (0.53) PARP15PARP10ALDH1A1HPGDTHRA
SCHEMBL4689682 0.85 PARP15 (0.60) PARP15PARP10PARP14ALDH1A1HPGD
SCHEMBL4685251 0.84 PARP10 (0.63) PARP15PARP10PARP14ALDH1A1HPGD
SCHEMBL12970678 0.84 PARP15 (0.56) PARP15PARP10PARP14ALDH1A1HPGD
SCHEMBL12970679 0.83 PARP15 (0.55) PARP15PARP10PARP14ALDH1A1HPGD
SCHEMBL4374860 0.82 CA2 (0.57) ALDH1A1HPGDHIF1ALMNASMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP claimed
EP-2507243-A1 SPIROINDOLINONE PYRROLIDINES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP claimed
US-8217044-B2 Spiroindolinone pyrrolidines HOFFMANN-LA ROCHE INC. (US) 2012-07-10 US claimed
EP-1805163-B1 1,1A,5,5A-TETRAHYDRO-3-THIA-CYCLOPROPA[A]PENTALENES: TRICYCLIC THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-01 EP claimed
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP disclosed
EP-2507243-A1 SPIROINDOLINONE PYRROLIDINES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP disclosed