SCHEMBL22018645

SCHEMBL22018645

CC(I)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.57
AR P10275 5/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 3/20 0.56
HPGD P15428 1/20 0.56
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
BCHE P06276 1/20 0.53
GAA P10253 2/20 0.51

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
SCHEMBL7468581 0.88 LTA4H (0.58) LTA4HARRAB9ASMN1; SMN2NPC1
SCHEMBL9021090 0.84 LTA4H (0.55) LTA4HARRAB9ASMN1; SMN2NPC1
SCHEMBL5954364 0.81 LTA4H (0.63) LTA4HARRAB9ASMN1; SMN2NPC1
SCHEMBL5954366 0.81 LTA4H (0.63) LTA4HARRAB9ASMN1; SMN2NPC1
SCHEMBL19223054 0.81 MEN1 (0.54) LTA4HARRAB9ASMN1; SMN2NPC1
SCHEMBL7258483 0.80 LTA4H (0.54) LTA4HARRAB9ASMN1; SMN2NPC1
SCHEMBL7418008 0.79 LTA4H (0.60) LTA4HARRAB9ASMN1; SMN2NPC1
SCHEMBL665518 0.79 APP (0.69) LTA4HARRAB9ASMN1; SMN2NPC1
SCHEMBL13399685 0.78 LTA4H (0.59) LTA4HRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL17602269 0.78 RXRA (0.56) LTA4HARRAB9ASMN1; SMN2NPC1

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-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed