SCHEMBL28061707

SCHEMBL28061707

CCCCCNC(=O)COC(=O)c1ccncc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
NAAA Q02083 1/20 0.61
TSHR P16473 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
FAAH O00519 1/20 0.54
NPC1 O15118 3/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 1/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 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
SCHEMBL535664 0.84 NAAA (0.61) KDM4ENAAAFAAHNPC1RAB9A
SCHEMBL11128518 0.80 NAAA (0.53) KDM4ENAAATSHRL3MBTL1FAAH
SCHEMBL28972533 0.80 NAAA (0.64) NAAATSHRL3MBTL1NPC1CYP3A4
Isonicotinic Acid Pentyl Ester SCHEMBL1645891 0.77 LMNA (0.66) TSHRL3MBTL1NPC1RAB9AKMT2A
Isonicotinic Acid Hexyl Ester SCHEMBL4951158 0.76 LMNA (0.68) TSHRL3MBTL1NPC1RAB9AKMT2A
SCHEMBL10779959 0.76 NAAA (1.00) KDM4ENAAATSHRL3MBTL1NPC1
SCHEMBL3893523 0.76 NAAA (1.00) KDM4ENAAATSHRL3MBTL1NPC1
N-Decyl Isonicotinate SCHEMBL4957558 0.76 LMNA (0.68) TSHRL3MBTL1NPC1RAB9AKMT2A
SCHEMBL10780701 0.76 LMNA (0.68) TSHRL3MBTL1NPC1RAB9AKMT2A
SCHEMBL13610196 0.76 LMNA (0.68) TSHRL3MBTL1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105685064-A HERBICIDAL ISOXAZOLO[5,4-b]PYRIDINES 巴斯夫欧洲公司 2016-06-22 CN claimed
CN-103124733-B Herbicidal isoxazolo [5,4-b ] pyridines BASF SE (DE) 2016-03-30 CN claimed
CN-105685064-B Weeding isoxazoles simultaneously [5,4-b] pyridine 巴斯夫欧洲公司 2018-06-22 CN disclosed
CN-105685064-A HERBICIDAL ISOXAZOLO[5,4-b]PYRIDINES 巴斯夫欧洲公司 2016-06-22 CN disclosed
CN-103124733-B Herbicidal isoxazolo [5,4-b ] pyridines BASF SE (DE) 2016-03-30 CN disclosed