SCHEMBL9016090

SCHEMBL9016090

CC(C)(C)OC(=O)C(N)(CCCN)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ODC1 P11926 2/20 0.42
LMNA P02545 2/20 0.40
BLM P54132 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DGAT1 O75907 1/20 0.34
ARG1 P05089 2/20 0.33
ARG2 P78540 2/20 0.33
GGT1 P19440 1/20 0.32
KMT2A Q03164 2/20 0.30
GABRR3 A8MPY1 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
HDAC3 O15379 1/20 0.30
GABBR2 O75899 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL2270879 1.00 ODC1 (0.42) ODC1LMNABLMKDM4EMAPT
SCHEMBL2270874 1.00 ODC1 (0.42) ODC1LMNABLMKDM4EMAPT
SCHEMBL4617700 0.95 ODC1 (0.37) ODC1LMNABLMKDM4EMAPT
SCHEMBL4617707 0.95 ODC1 (0.37) ODC1LMNABLMKDM4EMAPT
SCHEMBL28914719 0.95 ODC1 (0.37) ODC1LMNABLMKDM4EMAPT
SCHEMBL3294151 0.91 DGAT1 (0.38) ODC1LMNABLMKDM4EMAPT
SCHEMBL1066048 0.89 DGAT1 (0.41) ODC1LMNABLMKDM4EMAPT
SCHEMBL7705520 0.89 DGAT1 (0.41) ODC1LMNABLMKDM4EMAPT
SCHEMBL6429484 0.86 TDP1 (0.42) DGAT1ARG1ARG2GGT1KMT2A
SCHEMBL345584 0.86 FDPS (0.36) DGAT1ARG1ARG2GGT1KMT2A

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-110563943-A Bio-based polymer and preparation method thereof 中国科学院长春应用化学研究所 2019-12-13 CN claimed
CN-110563943-A Bio-based polymer and preparation method thereof 中国科学院长春应用化学研究所 2019-12-13 CN disclosed
US-5508432-A TREATING GASTROINTESTINAL DISORDERS, CENTRAL NERVOUS SYSTEM DISORDERS GLAXO WELLCOME INC. (US) 1996-04-16 US disclosed
US-5380872-A Appetite suppresant, gall bladder disorders, CNS disorders GLAXO INC. (US) 1995-01-10 US disclosed