SCHEMBL11547768

SCHEMBL11547768

O=C(NC12CC3CC(CC(C3)C1)C2)c1nc[nH]c1O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.50
CNR1 P21554 1/20 0.50
PABPC1 P11940 1/20 0.49
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
FAAH O00519 2/20 0.48
POLB P06746 1/20 0.46
EPHX2 P34913 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
SCHEMBL4064442 0.72 PABPC1 (0.57) CNR2CNR1PABPC1KDM4EHSD17B10
SCHEMBL30634268 0.69 FAAH (0.61) CNR2CNR1PABPC1KDM4EHSD17B10
SCHEMBL11551784 0.69 SMN1; SMN2 (0.46) KDM4EHSD17B10ALDH1A1MAPTATM
SCHEMBL2913054 0.69 FAAH (0.71) CNR2KDM4EHSD17B10TSHRALDH1A1
SCHEMBL5583722 0.68 CNR2 (0.62) CNR2CNR1PABPC1KDM4EHSD17B10
SCHEMBL2917775 0.67 CNR2 (1.00) CNR2KDM4EHSD17B10TSHRALDH1A1
SCHEMBL13502779 0.67 CNR2 (1.00) CNR2CNR1KDM4EHSD17B10TSHR
SCHEMBL12585864 0.67 CNR2 (0.58) CNR2CNR1KDM4EHSD17B10TSHR
SCHEMBL4657554 0.67 FAAH (0.58) CNR2PABPC1KDM4EHSD17B10TSHR
SCHEMBL23917015 0.67 PABPC1 (0.51) CNR2CNR1PABPC1KDM4EHSD17B10

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-4140788-A ANTITUMOR AGENTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-02-20 US claimed