SCHEMBL15057778

SCHEMBL15057778

CNCC1(c2ccc(OC)cc2)CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.51
TNKS O95271 3/20 0.48
TNKS2 Q9H2K2 3/20 0.48
PARP1 P09874 1/20 0.48
SLC6A4 P31645 5/20 0.47
SLC6A3 Q01959 4/20 0.47
SLC6A2 P23975 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
SCHEMBL9427449 0.85 SLC6A4 (0.58) POLBKMT2ASLC6A4SLC6A3SLC6A2
SCHEMBL16298335 0.84 SLC6A4 (0.66) POLBSLC6A4SLC6A3SLC6A2
SCHEMBL31525724 0.82 ALDH1A1 (0.54) ALDH1A1L3MBTL1POLBSMN1; SMN2LMNA
SCHEMBL2489568 0.81 ALDH1A1 (0.53) ALDH1A1L3MBTL1POLBSMN1; SMN2LMNA
SCHEMBL17789554 0.80 SLC6A4 (0.69) ALDH1A1L3MBTL1SMN1; SMN2LMNAHTT
SCHEMBL3271078 0.78 ALDH1A1 (0.51) ALDH1A1L3MBTL1POLBSMN1; SMN2LMNA
SCHEMBL21964990 0.77 ALDH1A1 (0.53) ALDH1A1L3MBTL1POLBSMN1; SMN2LMNA
SCHEMBL15057117 0.76 ALDH1A1 (0.78) ALDH1A1L3MBTL1POLBSMN1; SMN2LMNA
SCHEMBL15075064 0.76 ALDH1A1 (1.00) ALDH1A1L3MBTL1POLBSMN1; SMN2LMNA
SCHEMBL3270654 0.76 HRH3 (0.60) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013093508-A2 WNT PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2013-06-27 WO disclosed