SCHEMBL10603022

SCHEMBL10603022

CCC(=O)Cc1ccccc1Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ CAMK2A Q9UQM7 1/20 0.49
▸ HRH1 P35367 1/20 0.49
▸ P2RX3 P56373 1/20 0.48
▸ CXCL8 P10145 2/20 0.47
▸ FFAR1 O14842 1/20 0.46
▸ MME P08473 1/20 0.45
▸ ACE P12821 1/20 0.45
▸ CPA1 P15085 1/20 0.45
▸ ACE2 Q9BYF1 1/20 0.45
▸ CTNNB1 P35222 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL838629 0.82 CAMK2A (0.68) RIPK1SLC6A2SLC6A4CAMK2AHRH1
SCHEMBL4479762 0.81 KMT2A (0.54) ATMNPSR1GAA
Hydrogen Sulfide SCHEMBL28780977 0.81 CAMK2A (0.66) RIPK1SLC6A2SLC6A4CAMK2AHRH1
SCHEMBL28575436 0.81 SLC6A2 (0.49) RIPK1SLC6A2SLC6A4CAMK2AHRH1
SCHEMBL10405483 0.80 POLB (0.47) RIPK1SLC6A2SLC6A4CAMK2AHRH1
SCHEMBL837233 0.80 RIPK1 (0.51) RIPK1SLC6A2SLC6A4CAMK2AHRH1
SCHEMBL327806 0.80 SLC6A4 (0.63) RIPK1SLC6A2SLC6A4HRH1L3MBTL1
SCHEMBL10349053 0.79 HRH1 (0.51) RIPK1SLC6A2SLC6A4CAMK2AHRH1
SCHEMBL14765242 0.79 L3MBTL1 (0.56) L3MBTL1POLBATMNPSR1GAA
SCHEMBL1258981 0.79 HRH1 (0.56) RIPK1SLC6A2SLC6A4CAMK2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0198743-B1 PROCESS FOR THE ELECTROSYNTHESIS OF KETONES SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1989-05-31 — — EP disclosed
US-4629541-A ELECTROCHEMICAL REDUCTION OF ORGANICS HALIDES IN THE PRESENCE OF ACID ANHYDRIDES SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1986-12-16 — — US disclosed
EP-0198743-A1 Process for the electrosynthesis of ketones SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1986-10-22 — — EP disclosed
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