SCHEMBL4687732

SCHEMBL4687732

NC(=O)c1ccc(OCCCO)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.68
CHEK2 O96017 1/20 0.56
PARP15 Q460N3 2/20 0.55
PARP4 Q9UKK3 2/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 1/20 0.55
PARP14 Q460N5 1/20 0.55
PARP16 Q8N5Y8 1/20 0.55
PARP11 Q9NR21 1/20 0.55
PARP2 Q9UGN5 2/20 0.54
PRSS1 P07477 3/20 0.53
TMPRSS2 O15393 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HRH3 Q9Y5N1 2/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
PARP1 P09874 1/20 0.52
PRMT1 Q99873 3/20 0.52
F2 P00734 2/20 0.52
ST14 Q9Y5Y6 2/20 0.52

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
SCHEMBL4652513 0.93 PARP10 (0.64) PARP10PARP15PARP4ALDH1A1KMT2A
SCHEMBL4654822 0.93 PARP10 (0.64) PARP10PARP15PARP4ALDH1A1KMT2A
SCHEMBL27295340 0.93 PARP10 (0.64) PARP10PARP15PARP4ALDH1A1KMT2A
SCHEMBL4652331 0.93 PARP10 (0.64) PARP10PARP15PARP4ALDH1A1KMT2A
SCHEMBL77571 0.90 PARP10 (0.70) PARP10CHEK2PARP15PARP4ALDH1A1
SCHEMBL4687508 0.85 PARP10 (0.68) PARP10PARP15PARP4ALDH1A1KMT2A
Water SCHEMBL5055924 0.85 PARP10 (0.68) PARP10PARP15PARP4ALDH1A1KMT2A
SCHEMBL1977030 0.85 PARP10 (0.68) PARP10PARP15PARP4ALDH1A1KMT2A
SCHEMBL1086686 0.85 PARP10 (0.72) PARP10L3MBTL1GAA
SCHEMBL27987025 0.85 PARP10 (0.68) PARP10PARP15PARP4ALDH1A1KMT2A

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-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-3380122-B1 ANTI-5T4 ANTIBODIES AND ANTIBODY-DRUG CONJUGATES BYONDIS BV (NL) 2021-06-02 EP disclosed