SCHEMBL29801908

SCHEMBL29801908

NC(N)(N)CCCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
TSHR P16473 5/20 0.55
NFKB1 P19838 2/20 0.55
PMP22 Q01453 1/20 0.55
CYP2D6 P10635 1/20 0.52
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
BLM P54132 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
THRB P10828 2/20 0.50
SLC22A6 Q4U2R8 2/20 0.50
MEN1 O00255 2/20 0.50
ALOX15 P16050 2/20 0.50
PLG P00747 1/20 0.50
SLC6A2 P23975 1/20 0.50
RECQL P46063 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC11 Q96DB2 5/20 0.48
GABRR3 A8MPY1 1/20 0.48
GABRP O00591 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
SCHEMBL31282546 0.97 TSHR (0.60) LMNATSHRNFKB1PMP22CYP2D6
SCHEMBL7456984 0.92 LMNA (0.53) LMNATSHRNFKB1PMP22CYP2D6
Adipic Acid SCHEMBL11647915 0.81 NFKB1 (0.62) LMNATSHRNFKB1PMP22CYP2D6
SCHEMBL2029796 0.80
SCHEMBL29290 0.80 LMNA (0.52) LMNATSHRNFKB1PMP22CYP2D6
SCHEMBL27739960 0.80 LMNA (0.52) LMNATSHRNFKB1PMP22CYP2D6
SCHEMBL348477 0.80 LMNA (0.52) LMNATSHRNFKB1PMP22CYP2D6
Adipic Acid SCHEMBL4369555 0.80 LMNA (0.92) LMNATSHRNFKB1PMP22CYP2D6
SCHEMBL8232146 0.78 TSHR (0.55) LMNATSHRNFKB1PMP22CYP2D6
SCHEMBL5596078 0.78 LMNA (0.50) LMNATSHRNFKB1PMP22CYP2D6

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-115926879-A Universal high-wettability low-foam fully-synthesized grinding fluid 南京尚勤新材料科技有限公司 2023-04-07 CN claimed
CN-108774574-B Fully-synthetic water-based antirust complexing agent as well as evaluation method and application thereof 超滑科技(佛山)有限责任公司 2022-08-19 CN claimed
CN-115926879-A Universal high-wettability low-foam fully-synthesized grinding fluid 南京尚勤新材料科技有限公司 2023-04-07 CN disclosed
CN-108774574-B Fully-synthetic water-based antirust complexing agent as well as evaluation method and application thereof 超滑科技(佛山)有限责任公司 2022-08-19 CN disclosed