SCHEMBL11385772

SCHEMBL11385772

CCON=C1CCCc2ncc(C(=O)OCC)c(O)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.39
KDM4E B2RXH2 6/20 0.39
KMT2A Q03164 3/20 0.37
GLA P06280 3/20 0.37
GAA P10253 3/20 0.37
NPC1 O15118 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL11385771 1.00 PDE4B (0.39) PDE4BKDM4EKMT2AGLAGAA
SCHEMBL11387880 0.88 RAB9A (0.34) KDM4EKMT2AALDH1A1RAB9AMEN1
SCHEMBL11390757 0.88 NPC1 (0.47) PDE4BKDM4EKMT2AGLAGAA
SCHEMBL11390761 0.88 NPC1 (0.47) PDE4BKDM4EKMT2AGLAGAA
SCHEMBL11387876 0.88 RAB9A (0.34) KDM4EKMT2AALDH1A1RAB9AMEN1
SCHEMBL7125438 0.82 CYP1A2 (0.47) PDE4BKDM4EKMT2AGLAGAA
SCHEMBL9693584 0.77 ACHE (0.47) PDE4BKDM4EKMT2AGLAGAA
SCHEMBL2288150 0.75 KDM4E (0.48) KDM4EKMT2AGLAGAANPC1
SCHEMBL9686653 0.74 ACHE (0.48) KDM4EKMT2AGLAGAANPC1
SCHEMBL9686907 0.74 ACHE (0.48) KDM4EKMT2AGLAGAANPC1

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
US-4273932-A 4-Hydroxy-5,6,7,8-tetrahydroquinoline-3-carboxylic acids and derivatives MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1981-06-16 US claimed
US-4273932-A 4-Hydroxy-5,6,7,8-tetrahydroquinoline-3-carboxylic acids and derivatives MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1981-06-16 US disclosed