SCHEMBL9724937

SCHEMBL9724937

[CH2]CC(=O)Nc1cccc(OCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.61
NR1H4 Q96RI1 2/20 0.60
PDK1 Q15118 1/20 0.59
PDK2 Q15119 1/20 0.59
PDK3 Q15120 1/20 0.59
PDK4 Q16654 1/20 0.59
CTSV O60911 1/20 0.57
CTSL P07711 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 1/20 0.57
MAOB P27338 1/20 0.56
USP2 O75604 1/20 0.56
SENP1 Q9P0U3 1/20 0.56
SIRT2 Q8IXJ6 1/20 0.55
NR4A2 P43354 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL23283414 0.87 LTA4H (0.62) LTA4HNR1H4PDK1PDK2PDK3
SCHEMBL1142086 0.86 LTA4H (0.64) LTA4HNR1H4PDK1PDK2PDK3
SCHEMBL7933622 0.86 LTA4H (0.61) LTA4HNR1H4PDK1PDK2PDK3
SCHEMBL5249717 0.85 NR1H4 (0.65) LTA4HNR1H4PDK1PDK2PDK3
SCHEMBL11681284 0.85 LTA4H (0.63) LTA4HNR1H4PDK1PDK2PDK3
SCHEMBL28390021 0.84 MEN1 (0.71) LTA4HNR1H4PDK1PDK2PDK3
SCHEMBL832694 0.84 LTA4H (0.65) LTA4HNR1H4PDK1PDK2PDK3
SCHEMBL23273969 0.84 LTA4H (0.65) LTA4HPDK1PDK2PDK3PDK4
SCHEMBL10599853 0.83 MEN1 (0.79) LTA4HNR1H4PDK1PDK2PDK3
SCHEMBL8119011 0.83 SIRT2 (0.64) LTA4HNR1H4PDK1PDK2PDK3

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-5098934-A Enkephalinase inhibitors as analgesics or anticargcinogenic agents ROUSSEL UCLAF (FR) 1992-03-24 US disclosed