SCHEMBL29067686

SCHEMBL29067686

CCCCCCCCCOC(=O)c1ccncc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.68
NPC1 O15118 3/20 0.67
MAPT P10636 3/20 0.67
ALDH1A1 P00352 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
RAB9A P51151 1/20 0.67
NFKB1 P19838 1/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
CYP1A2 P05177 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
MEN1 O00255 1/20 0.60
HPGD P15428 1/20 0.60
KMT2A Q03164 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
TSHR P16473 2/20 0.58
ESR1 P03372 2/20 0.58

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
N-Decyl Isonicotinate SCHEMBL4957558 1.00 LMNA (0.68) LMNANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL10780701 1.00 LMNA (0.68) LMNANPC1MAPTALDH1A1SMN1; SMN2
Isonicotinic Acid Octyl Ester SCHEMBL31313536 1.00 LMNA (0.68) LMNANPC1MAPTALDH1A1SMN1; SMN2
Isonicotinic Acid Hexyl Ester SCHEMBL4951158 1.00 LMNA (0.68) LMNANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL1499927 1.00 LMNA (0.68) LMNANPC1MAPTALDH1A1SMN1; SMN2
Isonicotinic Acid Octadecyl Ester SCHEMBL3128513 1.00 LMNA (0.68) LMNANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL13610196 1.00 LMNA (0.68) LMNANPC1MAPTALDH1A1SMN1; SMN2
Isonicotinic Acid Pentyl Ester SCHEMBL1645891 0.98 LMNA (0.66) LMNANPC1MAPTALDH1A1SMN1; SMN2
Isonicotinic Acid Butyl Ester SCHEMBL4312059 0.93 LMNA (0.67) LMNANPC1MAPTALDH1A1SMN1; SMN2
Sulfuric Acid SCHEMBL28197310 0.93 LMNA (0.60) LMNANPC1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115433832-B Nickel and cobalt synergistic extractant and application thereof 中国科学院过程工程研究所 2024-03-19 CN claimed
CN-115433832-A Nickel and cobalt synergistic extraction agent and application thereof 中国科学院过程工程研究所 2022-12-06 CN claimed
CN-115433832-B Nickel and cobalt synergistic extractant and application thereof 中国科学院过程工程研究所 2024-03-19 CN disclosed
CN-115433832-A Nickel and cobalt synergistic extraction agent and application thereof 中国科学院过程工程研究所 2022-12-06 CN disclosed