SCHEMBL1670606

SCHEMBL1670606

NC(=O)c1ccc(OCC2CCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 13/20 1.00
PARP15 Q460N3 7/20 1.00
PARP2 Q9UGN5 2/20 1.00
HRH3 Q9Y5N1 1/20 0.55
CHEK2 O96017 2/20 0.49
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
PARP14 Q460N5 1/20 0.48
PARP16 Q8N5Y8 1/20 0.48
PARP11 Q9NR21 1/20 0.48
PARP4 Q9UKK3 1/20 0.48
CDK1 P06493 1/20 0.48
CDK2 P24941 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL6527611 0.93 PARP10 (1.00) PARP10PARP15PARP2HRH3CHEK2
SCHEMBL12735790 0.86 PARP10 (0.79) PARP10PARP15PARP2CHEK2
SCHEMBL2885506 0.85 PARP10 (0.73) PARP10PARP15PARP2KMT2ACDK2
Hydrochloric Acid SCHEMBL31752833 0.84 PARP10 (0.77) PARP10PARP15PARP2CHEK2
SCHEMBL29972881 0.83 PARP10 (0.75) PARP10PARP15PARP2HRH3CHEK2
SCHEMBL12420703 0.81 PARP10 (0.73) PARP10PARP15PARP2KMT2A
SCHEMBL1532862 0.80 PARP10 (0.74) PARP10PARP15PARP2ALDH1A1KMT2A
SCHEMBL4117982 0.80 PARP10 (0.71) PARP10PARP15PARP2ALDH1A1KMT2A
SCHEMBL12420700 0.80 PARP10 (0.74) PARP10PARP15PARP2ALDH1A1KMT2A
SCHEMBL1532841 0.80 PARP10 (0.74) PARP10PARP15PARP2ALDH1A1KMT2A

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-2486014-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
WO-2011044212-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO disclosed