SCHEMBL20053346

SCHEMBL20053346

CCOC(O)c1c(COC(C)=O)n(CCC(C)C)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 6/20 0.39
KMT2A Q03164 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
MEN1 O00255 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
KDM4E B2RXH2 4/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 4/20 0.35
PTGS2 P35354 1/20 0.35
HTT P42858 2/20 0.35

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
SCHEMBL9974834 0.82 KDM4E (0.47) MAPTPOLBALDH1A1KMT2ANPSR1
SCHEMBL9974833 0.81 POLB (0.45) MAPTPOLBALDH1A1KMT2AMEN1
SCHEMBL9974823 0.71 MAPT (0.53) MAPTALDH1A1KMT2AMEN1HTR3A
SCHEMBL9974832 0.70 KDM4E (0.49) MAPTPOLBALDH1A1KMT2ANPSR1
SCHEMBL29574988 0.66 ALDH1A1 (0.61) MAPTPOLBALDH1A1KMT2ANPSR1
SCHEMBL25733860 0.66 ALDH1A1 (0.61) MAPTPOLBALDH1A1KMT2ANPSR1
SCHEMBL28370067 0.65 THRA (0.57) MAPTPOLBALDH1A1PTGS2
SCHEMBL9974831 0.65 KDM4E (0.51) MAPTPOLBALDH1A1KMT2ANPSR1
SCHEMBL4692026 0.63 ALDH1A1 (0.76) MAPTPOLBALDH1A1NPSR1KDM4E
SCHEMBL573394 0.63 PTGS2 (0.58) POLBALDH1A1KMT2AMEN1PPARG

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
US-9944638-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND US (IE) 2018-04-17 US disclosed