SCHEMBL11035989

SCHEMBL11035989

CC(O)C(NC1CCCCC1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
EPHX1 P07099 2/20 0.50
LMNA P02545 2/20 0.50
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 3/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
RECQL P46063 1/20 0.45
TSHR P16473 2/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 2/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
CYP2D6 P10635 2/20 0.42

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
SCHEMBL10818567 0.83 GAA (0.62) GAAL3MBTL1EPHX1LMNACYP3A4
SCHEMBL20144709 0.80 GAA (0.62) GAAL3MBTL1EPHX1LMNACYP3A4
SCHEMBL10714267 0.79 GAA (0.56) GAAL3MBTL1EPHX1LMNACYP3A4
SCHEMBL3671016 0.79 GAA (0.96) GAAL3MBTL1EPHX1LMNACYP3A4
SCHEMBL28091017 0.79 GAA (0.96) GAAL3MBTL1EPHX1LMNACYP3A4
SCHEMBL3665297 0.79 GAA (0.96) GAAL3MBTL1EPHX1LMNACYP3A4
SCHEMBL21104687 0.79 GAA (0.96) GAAL3MBTL1EPHX1LMNACYP3A4
SCHEMBL30802120 0.78 GAA (0.54) GAAL3MBTL1EPHX1LMNAKDM4E
SCHEMBL20144686 0.78 GAA (0.64) GAAL3MBTL1EPHX1LMNACYP3A4
Hydrochloric Acid SCHEMBL28720089 0.77 GAA (0.93) GAAL3MBTL1EPHX1LMNACYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59161336-A None JP disclosed
JP-S59161336-A PRODUCTION OF AMINOPROPANE DERIVATIVE SAGAMI CHEM RES CENTER 1984-09-12 JP disclosed