SCHEMBL11112641

SCHEMBL11112641

C=CCONC(=O)CCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
FAAH O00519 3/20 0.47
CNR2 P34972 3/20 0.46
TRPV1 Q8NER1 2/20 0.46
CNR1 P21554 2/20 0.44
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSP90AA1 P07900 1/20 0.38
ALDH1A1 P00352 4/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.35
DNM1 Q05193 1/20 0.35
POLB P06746 1/20 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
SCHEMBL11112620 0.93 FAAH (0.57) TSHRFAAHCNR2TRPV1CNR1
SCHEMBL7066196 0.93 FAAH (0.57) TSHRFAAHCNR2TRPV1CNR1
SCHEMBL28211721 0.78 CNR2 (0.49) FAAHCNR2TRPV1CNR1MAPT
SCHEMBL5187690 0.76 CNR2 (0.56) FAAHCNR2TRPV1CNR1MAPT
SCHEMBL25395190 0.75 CNR2 (0.51) TSHRFAAHCNR2TRPV1CNR1
SCHEMBL2185277 0.74 MAPT (0.37) TSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL30195171 0.73 CNR2 (0.71) TSHRFAAHCNR2TRPV1CNR1
SCHEMBL27076765 0.72 CNR2 (0.56) TSHRFAAHCNR2TRPV1CNR1
SCHEMBL9344878 0.72 TSHR (0.37) TSHRFAAHCNR2TRPV1MAPT
SCHEMBL1686162 0.71

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
EP-0103895-A2 Novel hydroxylamine derivatives, production and use thereof MEIJI SEIKA KABUSHIKI KAISHA (JP) 1984-03-28 EP disclosed