SCHEMBL28012174

SCHEMBL28012174

CCS(=O)(=O)c1ccc(OCC2CC2)cc1C[O]

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP15 Q460N3 7/20 0.43
▸ PARP10 Q53GL7 7/20 0.43
▸ MTNR1A P48039 1/20 0.41
▸ PARP2 Q9UGN5 1/20 0.39
▸ SCN9A Q15858 2/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ CREBBP Q92793 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.36

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
SCHEMBL20160335 0.74 PARP15 (0.44) PARP15PARP10MTNR1APARP2SCN9A
SCHEMBL27990764 0.72 TLR4 (0.46) PARP15PARP10MTNR1A
SCHEMBL8651126 0.72 PARP10 (0.48) PARP15PARP10MTNR1APARP2BRD4
SCHEMBL22389473 0.72 PARP10 (0.49) PARP15PARP10MTNR1APARP2SCN9A
SCHEMBL3428815 0.69 PARP10 (0.49) PARP15PARP10MTNR1APARP2SCN9A
SCHEMBL29024848 0.67 PARP15 (0.64) PARP15PARP10PARP2
SCHEMBL25296446 0.67 TLR4 (0.49) PARP15PARP10
SCHEMBL27689472 0.67 PARP15 (0.56) PARP15PARP10PARP2
SCHEMBL13589518 0.66 PTGS2 (0.53) PARP15PARP10PARP2BRD4
SCHEMBL22389468 0.66 RIPK1 (0.52) PARP15PARP10SCN9ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104884451-A Pyridinone and pyridazinone derivatives ABBVIE INC 2015-09-02 — — CN claimed
CN-104718201-A Pyridinone and pyridazinone derivatives ABBVIE INC 2015-06-17 — — CN claimed
CN-104884451-A Pyridinone and pyridazinone derivatives ABBVIE INC 2015-09-02 — — CN disclosed
CN-104718201-A Pyridinone and pyridazinone derivatives ABBVIE INC 2015-06-17 — — CN disclosed
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