SCHEMBL4777773

SCHEMBL4777773

O=C(O)N1CCCC[C@H]1C(O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 4/20 0.50
SPHK1 Q9NYA1 4/20 0.49
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.46
NR4A2 P43354 1/20 0.46
CHRM3 P20309 2/20 0.45
CYP2D6 P10635 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
KDM2B Q8NHM5 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX5 P09917 1/20 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
SCHEMBL4777767 1.00 SPHK2 (0.50) SPHK2SPHK1KMT2ASMN1; SMN2POLB
SCHEMBL4781614 0.86 KCNH2 (0.48) SPHK2SPHK1KMT2ASMN1; SMN2POLB
SCHEMBL4781618 0.86 KCNH2 (0.48) SPHK2SPHK1KMT2ASMN1; SMN2POLB
SCHEMBL4777088 0.83 POLB (0.48) KMT2ASMN1; SMN2POLBL3MBTL1
SCHEMBL4725427 0.83 POLB (0.48) KMT2ASMN1; SMN2POLBL3MBTL1
SCHEMBL4777083 0.83 POLB (0.48) KMT2ASMN1; SMN2POLBL3MBTL1
SCHEMBL4725421 0.83 POLB (0.48) KMT2ASMN1; SMN2POLBL3MBTL1
SCHEMBL3076592 0.80 LMNA (0.44)
SCHEMBL3076594 0.80 LMNA (0.44)
SCHEMBL4776192 0.80 HSD17B2 (0.47) KMT2APOLBHRH3L3MBTL1

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
WO-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed