SCHEMBL11277313

SCHEMBL11277313

CCNC(=O)Cc1ccc2cc(OC)c(OC)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTGS1 P23219 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
EPHX2 P34913 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 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
SCHEMBL11278088 0.87 PTGS1 (0.65) POLBALDH1A1SMN1; SMN2PTGS1AKR1C3
SCHEMBL11271316 0.85 KMT2A (0.55) POLBSMN1; SMN2PTGS1AKR1C3AKR1C2
SCHEMBL25024046 0.81 L3MBTL1 (0.53) L3MBTL1POLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL4589826 0.80 PTGS1 (0.73) L3MBTL1POLBALDH1A1SMN1; SMN2PTGS1
SCHEMBL11275576 0.79 KMT2A (0.67) L3MBTL1POLBRXFP1ALDH1A1SMN1; SMN2
SCHEMBL11281357 0.78 PTGS1 (0.53) ALDH1A1SMN1; SMN2PTGS1AKR1C3AKR1C2
SCHEMBL2450845 0.78 HTT (0.71) ALDH1A1SMN1; SMN2KMT2AMEN1EPHX2
SCHEMBL8535521 0.77 HSD17B10 (0.57) L3MBTL1POLBALDH1A1SMN1; SMN2KMT2A
SCHEMBL11273025 0.77 PTGS1 (0.48) RXFP1ALDH1A1SMN1; SMN2PTGS1AKR1C3
SCHEMBL11283789 0.76 XDH (0.57) L3MBTL1POLBSMN1; SMN2KMT2AMEN1

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
US-4327022-A Heterocyclic alkyl naphthols STERLING DRUG INC. (US) 1982-04-27 US disclosed
US-4169108-A 5(OR 6)-[(Substituted-amino)alkyl]-2,3-naphthalenediols STERLING DRUG INC. (US) 1979-09-25 US disclosed