SCHEMBL5483603

SCHEMBL5483603

COC(=O)c1ccc(C(=O)NC2CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.51
HPGDS O60760 1/20 0.51
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALOX15 P16050 1/20 0.50
MGLL Q99685 1/20 0.50
HSD17B10 Q99714 1/20 0.50
EPHX2 P34913 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
KDM1A O60341 1/20 0.48

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
SCHEMBL8659518 0.89 NPC1 (0.59) NPC1SMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL22640297 0.89 NPC1 (0.59) NPC1SMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL16583908 0.85 NPC1 (0.63) NPC1SMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL20194464 0.85 NPC1 (0.68) NPC1SMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL12124399 0.84 HPGD (0.71) NAMPTNPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL19480100 0.83 KDM4E (0.58) NAMPTNPC1SMN1; SMN2RAB9AHPGD
SCHEMBL841649 0.82 MAPK1 (0.56) HPGDSNPC1RAB9AHDAC6KDM4E
SCHEMBL15088518 0.82 NAMPT (0.54) NAMPTNPC1SMN1; SMN2RAB9AHPGD
SCHEMBL5497348 0.82 RAB9A (0.56) NAMPTNPC1SMN1; SMN2RAB9AHPGD
SCHEMBL8996793 0.81 NPC1 (0.51) NPC1SMN1; SMN2RAB9AALDH1A1HPGD

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-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed