SCHEMBL8567503

SCHEMBL8567503

CC(=O)N1c2ccc(CO)cc2CC1C

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.59
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PKLR P30613 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TNF P01375 2/20 0.47
NOD2 Q9HC29 2/20 0.47
NOD1 Q9Y239 2/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL8570195 0.89 NOTUM (0.56) NOTUMALDH1A1POLBSMN1; SMN2PKLR
SCHEMBL6269801 0.86 NOTUM (0.56) NOTUMALDH1A1POLBSMN1; SMN2PKLR
SCHEMBL6805438 0.82 ALDH1A1 (0.53) NOTUMALDH1A1POLBSMN1; SMN2PKLR
SCHEMBL7825721 0.82 BRD4 (0.40) NOTUMALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL7416927 0.79 NOTUM (0.62) NOTUMSMN1; SMN2PKLRMEN1KMT2A
SCHEMBL32673424 0.79 NOTUM (0.62) NOTUMALDH1A1PKLRMEN1KMT2A
SCHEMBL2205547 0.77 LMNA (0.68) NOTUMALDH1A1POLBSMN1; SMN2PKLR
SCHEMBL14756003 0.76 BRD4 (0.53) NOTUMALDH1A1MEN1KMT2A
SCHEMBL10167044 0.74 NOTUM (1.00) NOTUMALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2586534 0.74 NOTUM (1.00) NOTUMALDH1A1SMN1; SMN2MEN1KMT2A

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-0431943-B1 Spiro(pyran)piperidine derivatives MERCK & CO INC (US) 1998-07-15 EP disclosed
US-5633247-A ANTIARRTHYMIA AGENT MERCK & CO., INC. (US) 1997-05-27 US disclosed
US-5206240-A Antiarrhythmia agents MERCK & CO., INC. (US) 1993-04-27 US disclosed