SCHEMBL8569059

SCHEMBL8569059

O=C(c1c(O)cccc1O)N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.58
RXFP1 Q9HBX9 1/20 0.51
HSP90AA1 P07900 1/20 0.49
HRH4 Q9H3N8 3/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.43
GLA P06280 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
REN P00797 3/20 0.43

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
SCHEMBL7863594 0.81 RXFP1 (0.59) SIGMAR1RXFP1HSP90AA1HRH4HRH3
SCHEMBL6807257 0.80 NPC1 (0.69) SIGMAR1RXFP1HSP90AA1HRH4HRH3
SCHEMBL30417397 0.80 RXFP1 (0.68) SIGMAR1RXFP1HSP90AA1HRH4HRH3
SCHEMBL12522808 0.80 RXFP1 (0.68) SIGMAR1RXFP1HSP90AA1HRH4HRH3
SCHEMBL937500 0.80 LMNA (0.71) SIGMAR1RXFP1HRH4HPGDLMNA
SCHEMBL8570079 0.76 TSHR (0.54) HRH4HPGDLMNAPOLBNPC1
SCHEMBL8358286 0.76 SIGMAR1 (0.76) SIGMAR1HPGDLMNA
SCHEMBL8253848 0.75 RXFP1 (0.77) SIGMAR1RXFP1HSP90AA1HRH4HRH3
SCHEMBL7245767 0.74 GNE (0.62) SIGMAR1RXFP1HRH4HRH3LMNA
SCHEMBL8358137 0.74 SIGMAR1 (0.81) SIGMAR1RXFP1HPGDMKNK1MKNK2

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-5773236-A FLUORESCENT DYES FOR DETECTION OF ENZYMES FOR METABOLISM IN CELLS MOLECULE PROBES, INC. (US) 1998-06-30 US disclosed